Heptanoic acid
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Heptanoic acid
structure -
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CAS No:
111-14-8
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Formula:
C7H14O2
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Chemical Name:
Heptanoic acid
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Synonyms:
Heptanoic acid;Enanthic acid;Enanthylic acid;n-Heptoic acid;Heptylic acid;1-Hexanecarboxylic acid;n-Heptylic acid;Oenanthic acid;Oenanthylic acid;Heptoic acid;n-Heptanoic acid;NSC 2192;Enanthoic acid;2243153-85-5
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CAS No:
Description
CLEAR OILY LIQUID.
Heptanoic acid, also called enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether.
Heptanoic acid appears as a colorless liquid with a pungent odor. Less dense than water and poorly soluble in water. Hence floats on water. Very corrosive. Contact may likely burn skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Flash point near 200°F.|Liquid; OtherSolid, Liquid|Liquid|CLEAR OILY LIQUID.|colourless oily liquid/ disagreeable rancid, sour, fatty odour
Heptanoic acid appears as a colorless liquid with a pungent odor. Less dense than water and poorly soluble in water. Hence floats on water. Very corrosive. Contact may likely burn skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Flash point near 200°F.|Heptanoic acid is a C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes. It has a role as a plant metabolite. It is a medium-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a heptanoate.|Heptanoic Acid is an aliphatic carboxylic acid, also known as enanthic acid, used in the synthesis of esters for products such as fragrances and artificial flavor preparations.
Heptanoic acid Basic Attributes
130.18
130.18
1744723
203-838-7
THE3YNP39D
1179
2192
3265
DTXSID2021600
C61782
CLEAR OILY LIQUID
2915900090
Characteristics
37.3
2.42 (estimated)
White to off-white Powder
0.9181 g/cm3 @ Temp: 20 °C
-7.5 °C
222.2 °C
>230 °F
1.433
water: soluble 0.2419 g/100ml at 15°C
Store below +30°C.
<0.1 mm Hg ( 20 °C)
4.5 (vs air)
10.1%
Disagreeable, rancid odor; faint tallow-like odor when spectroscopically pure.
Henry's Law constant = 6.50X10-7 atm-cu mmol at 25 °C (est)
pKa = 4.4 at 25 °C|pKa = 4.893 at 25 °C|pKa = 4.8 at 25 °C
CONGEALING POINT: -6.26 °C; TENDS TO SOLIDIFY IN COLD WEATHER|Specific heat = 0.54 cal/g; Interfacial tension against water = 7.0 dynes/cm.|Heat of fusion = 15.0 kJ/mol|Hydroxyl radical reaction rate constant = 6.94X10-12 cu cm/molec-sec at 25 °C (est)
Slightly soluble in water.
Acids, Carboxylic
HEPTANOIC ACID reacts exothermically with bases. Can react, particularly if moist, with active metals to form gaseous hydrogen and a metal salt. Such reactions are slow if the acid remains dry. Corrodes or dissolves iron, steel, and aluminum parts and containers under ordinary conditions. Reacts with cyanide salts to generate gaseous hydrogen cyanide, particuarly if moist. May generate flammable and/or toxic gases with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Reacts with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts exothermically with carbonates and bicarbonates to generate a harmless gas (carbon dioxide). Can be oxidized exothermically by strong oxidizing agents and reduced exothermically by strong reducing agents. A wide variety of products is possible. May initiate polymerization reactions; may catalyze chemical reactions.
380 °C|255 °C
-986.1 cal/g at 20 °C
Corrosive
Safety Information
III
8
UN 3265 8/PG 3
1
34
26-28-36/37/39-45-28A
MJ1575000
C
Separated from food and feedstuffs. See Chemical Dangers.
Stable. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible. Protect from light.
P260-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338 + P310
H314-H332-H335
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.|SPILLAGE DISPOSAL: Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent and remove to safe place (extra personal protection: complete protective clothing including self-contained breathing apparatus).
European Chemicals Bureau; IUCLID Dataset, Heptanoic acid (CAS # 111-14-8) (2000 CD-ROM edition). Available from the Database Query page at: http://ecb.jrc.it/esis/esis.php as of January 15, 2008.|USEPA/HPVIS; SCREENING-LEVEL HAZARD CHARACTERIZATION: C7 to C9 Aliphatic Aldehydes and Carboxylic Acids Category (August 2007) Available from http://www.epa.gov/hpvis/hazchar/Category_C7-C9 Aliphatic Aldehydes & Carboxylic Acids_HC_August 2007.pdf as of January 15, 2008.
UN 3265
P260; P280; P303 + P361 + P353; P304 + P340 + P310; P305 + P351 + P338 + P310
This chemical is probably combustible. (NTP, 1992)|Combustible.
|Danger|H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2255 companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2016)
Approved respirator, rubber gloves, safety goggles. (USCG, 1999)|Personnel protection: ... Wear appropriate chemical protective clothing. Wear positive pressure self-contained breathing apparatus.
Combustible
Combustible|Explosive limits , vol% in air: 1.1-10.1
... FIRE FIGHTING /with/ Powder, water spray, foam, carbon dioxide.|If material involved in fire: Extinguish fire using agent suitable for type of surrounding fire (Material itself does not burn or burns with difficulty.). Keep run-off water out of sewers and water sources.
Corrosive ... Causes burns
If material not on fire and not involved in fire: Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard.|Personnel protection: Keep upwind. Avoid breathing vapors. ... Avoid bodily contact with the material.|SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.|Exposure: PREVENT GENERATION OF MISTS! AVOID ALL CONTACT; Inhalation: Ventilation, local exhaust, or breathing protection; Skin: Protective clothing; Eyes: Face shield or eye protection in combination with breathing protection. Ingestion: Do not eat, drink, or smoke during work. Wash hands before eating.|For more Preventive Measures (Complete) data for HEPTANOIC ACID (6 total), please visit the HSDB record page.
ACUTE HAZARDS / SYMPTOMS: Inhalation-Burning sensation. Cough. Headache. Nausea. Shortness of breath. Vomiting. Wheezing. Symptoms may be delayed; Skin-Skin burns. Pain. Blisters; Eyes-Redness. Pain. Severe deep burns ... The symptoms of lung oedema often do not become manifest until a few hours have passed and they are aggravated by physical effort. Rest and medical observation is therefore essential.|HEPTANOIC ACID IS A PRIMARY SKIN AND EYE IRRITANT IN CONCENTRATED SOLUTIONS.
Personal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Separated from food and feedstuffs. See Chemical Dangers.
No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
The substance is corrosive to the eyes, skin and respiratory tract. Inhalation of high concentrations may cause lung oedema, but only after initial corrosive effects on the eyes and the upper respiratory tract have become manifest. The effects may be delayed. Medical observation is indicated.
NO open flames. See Chemical Dangers.
PREVENT GENERATION OF MISTS! AVOID ALL CONTACT!
Use ventilation, local exhaust or breathing protection.
Protective clothing.
Wear face shield or eye protection in combination with breathing protection.
Heptanoic acid was detected in the leachate of a sanitary landfill located in Barcelona, Spain at an unreported concn(1). Heptanoic acid was found in oil field waste water samples from a California oil processing facility from not detected (detection limit 1 ug/L) to 1.02 mg/L in samples taken from March 1 to June 16, 1995(2). The acidic fraction of oil shale retort water was found to contain heptanoic acid at a concn of 370 mg/L(3). Heptanoic acid was detected in: product water samples from an in situ coal gasification site in Hanna, WY at a concn of 870 ppm; retort water from in situ oil shale processing in Rock Springs, WY at a concn of 79 ppm; and boiler blowdown water from in situ shale oil processing in DeBeque, CO at a concn of 54 ppm(4). Heptanoic acid was detected in process retort water from the Occidental Oil Shale, Inc facility in Logan Wash, CO at a concn of 149 mg/L(5). Heptanoic acid was detected in industrial effluent samples collected between Nov 1979-81 in the following industrial categories: ore mining, 16 ng/uL; organics and plastics, 34 ng/uL; auto and other laundries, 21 ng/L; mechanical products, 1393 ng/uL; and publicly owned treatment works at an unknown concn(6). Heptanoic acid was detected in the emissions of a municipal waste incineration plant at a concn of 0.50 ug/cu m(7). Heptanoic acid was detected in exhaust from a gasoline engine at a concn of 0.047 ppb(8). Heptanoic acid was found in groundwater samples down gradient from a crude oil spill in Bemidji, MN in 1990: 0.140, 0.68, 0.171, 0.082, 0.072, and <0.020 uM at 0, 24, 36, 46, 56, and 66 meters from spill source(9). Heptanoic acid was detected in groundwater from a landfill well near Norman, OK at an estimated concn of 1.0 ug/L(10). Groundwater samples collected 15.5 feet below the land surface near an area contaminated with gasoline contained heptanoic acid at a concn of 4 ug/L(11).|Heptanoic acid was found in gas and particulate matter effluents from commercial-scale meat charbroiling operations at 26,000 and 6,190 ug/kg meat cooked, respectively(1).
SEDIMENT: Heptanoic acid was identified in sediment samples taken Sept 1995 at the mouth of 3 rivers and in 1 port in Niigata, Japan(1).
URBAN/SUBURBAN: Heptanoic acid was identified in air samples collected along the Niagara River in Sept 1982 at an unreported concn(1). Heptanoic acid was detected at 0.14, 0.18, 0.23 and 0.16 ug/cu m in Long Beach, Los Angeles, Azusa and Claremont, CA, respectively, Sept 8-9, 1993(2). Air samples collected in Los Angeles between July and Sept 1984 contained 0.002 to 0.017 ppb heptanoic acid(3). Heptanoic acid was found at 0.003-0.010, 0.002-0.005, 0.011-0.030, and 0.006-0.009 ppbv at UCLA campus, Newberry Park, Monterey Park, and La Habra, CA in Oct 1984(4).|RURAL/REMOTE: Heptanoic acid was detected at an unreported concn in forest air samples collected in a spruce forest in Eggegebirge, North-Rhine Westphalia(1). Heptanoic acid was not detected on San Nicolas Island, CA Sept 8-9, 1993(2).
MIXT OF 14 LOWER FATTY ACIDS INCL HEPTANOIC ACID /OCCURS/ IN CIGARETTE SMOKE
Toxicity
LD50 Rat oral 7,000 mg/kg|LD50 Rat (albino) oral 8370 mg/kg|LD50 Rat inhalation >4.6 mg/L|LD50 Rabbit (albino) dermal >5000 mg/kg|For more Non-Human Toxicity Values (Complete) data for HEPTANOIC ACID (6 total), please visit the HSDB record page.
/AQUATIC SPECIES/ Fathead minnows (Pimephales promelas) were exposed to heptanoic acid for 96 hr at a nominal concentration of 120 mg/L in a semi-static system. Mean measured concentrations decreased during the test: 98% at 0 hr, 96% at 24 hr, 97% at 72 hr and 33% at 96 hr. The mean measured concentration was 92 mg/L. No mortalities or sublethal effects were observed throughout the exposure period. 96-hr LC50 > 92 mg/L.|/OTHER TOXICITY INFORMATION/ No mortality /in Cyprinus carpio/ was seen in a feeding study of n-heptanoic acid at doses of 43-115 mg/kg.
REPORTED AS OCCURRING NATURALLY IN CALAMUS, HOPS, ACACIA DEALBATA, & JAPANESE PEPPERMINT & VIOLET LEAVES; ITS PRESENCE IN RANCID OILS HAS BEEN OBSERVED; ALSO REPORTED FOUND IN YELLOW PASSION FRUIT.|Heptanoic acid was found as a volatile component of raw earth-almond (Cyperus esculentus L.)(1). The compound is a carboxylic acid that is also known as a fatty acid because fatty acids were first isolated by the hydrolysis of naturally occurring fats(2). Fatty acids are widely distributed in nature as components of animal and vegetable fats(3) including lipids such as oils and fats, waxes, sterol esters and other minor compounds(2).
Heptanoic acid's production and use in organic syntheses, in the production of special lubricants for aircraft and brake fluids(1), and as a synthetic flavoring ingredient(2) may result in its release to the environment through various waste streams(SRC).
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 490 for the free acid(SRC), determined from a log Kow of 2.42(2) and a regression-derived equation(3), indicates that undissociated heptanoic acid is expected to have moderate mobility in soil(SRC). The pKa of heptanoic acid is 4.8(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization of heptanoic acid from moist soil is not expected to be an important fate process because the acid is in the anion form and anions do not volatilize(SRC). Heptanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.07X10-2 mm Hg(5). Total organic carbon removal of 96% observed for heptanoic acid using a non-acclimated activated sludge(6), suggesting that biodegradation is an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 490 for the free acid(SRC), determined from a log Kow of 2.42(2) and a regression-derived equation(3), indicates that undissociated heptanoic acid is expected to adsorb to suspended solids and sediment(SRC). A pKa of 4.8(4) indicates heptanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Heptanoic acid, present at an initial concentration of 500 ppm, was biodegraded 24.6, 36.1, and 49.2% of its theoretical BOD after 72 hours using activated sludge(8), indicating biodegradation may be an important fate process in aqueous environments(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), heptanoic acid, which has a vapor pressure of 1.07X10-2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase heptanoic acid is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 2.3 days(SRC), calculated from its rate constant of 6.9X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Heptanoic acid does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4).
The rate constant for the vapor-phase reaction of heptanoic acid with photochemically-produced hydroxyl radicals has been estimated as 6.9X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 2.3 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Heptanoic acid is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). Heptanoic acid does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(3).
An estimated BCF of 3 was calculated in fish for heptanoic acid(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
The Koc of undissociated heptanoic acid is estimated as 490(SRC), using a log Kow of 2.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated heptanoic acid is expected to have moderate mobility in soil. The pKa of heptanoic acid is 4.8(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
A pKa of 4.8(1) indicates heptanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Heptanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.07X10-2 mm Hg(3).
DRINKING WATER: Heptanoic acid was quantitatively detected in drinking water in: Cincinnati, OH in Oct 1978 and Jan 1980; Miami, FL in Feb 1976; New Orleans, LA in Jan 1976; Philadelphia, PA in Feb 1976; Ottumwa, IA in Sept 1976; and Seattle, WA in Nov 1976(1). Heptanoic acid was identified as a byproduct of chlorine dioxide disinfection of drinking water at a pilot plant in Evansville, IN(2). Heptanoic acid was identified as an ozone disinfection by-product in drinking water samples from a pilot plant in Jefferson Parish, LA which uses Mississippi River as the raw water source; samples were collected following 4 rounds of ozonation treatment performed in January, 1994, August 1994, May 1995, and September 1996(3).|RAIN/SNOW: Heptanoic acid was detected in rain and snow samples collected from southern CA at concns ranging from 0.005 to 0.078 uM(1). Heptanoic acid was identified at 6 of 10 snow sample sites in Russia and Finland; 0.31 ug/kg at Neulaniemi (Kuopio, Finland), 0.06 ug/kg at Nellim (Lapland, Finland), 0.11 ug/kg at Muonio (Lapland, Finland), 0.25 ug/kg at Levi (Lapland, Finland), 0.03 ug/kg at Butovo (Moscow, Russia) and 0.11 ug/kg at Moscow State University (Moscow, Russia)(2).
Heptanoic acid has been identified as a volatile flavor component of mutton, beef, and pork(1). Heptanoic acid has been identified as a volatile component of raw beef(2), fried bacon flavor(3), and baked potato flavor(4). Heptanoic acid was found in popcorn using wet extraction method at 25 ug/kg(5). Heptanoic acid was found as a volatile component of raw and roasted earth-almond (Cyperus esculentus L.)(6). Heptanoic acid was found in gas and particulate matter effluents from commercial-scale meat charbroiling operations at 26,000 and 6,190 ug/kg meat cooked, respectively(7).
NIOSH (NOES Survey 1981-1983) has statistically estimated that 34,035 workers (2,138 of these were female) were potentially exposed to heptanoic acid in the US(1). Occupational exposure to heptanoic acid may occur through inhalation and dermal contact with this compound at workplaces where heptanoic acid is produced or used. Monitoring data indicate that the general population may be exposed to heptanoic acid via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with this compound or other products containing heptanoic acid(SRC).
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Oral | Rodent - rat | 7 gm/kg | Details of toxic effects not reported other than lethal dose value-- | Food & Drug Research Laboratories, Inc., Papers. (P.O. Box 107, Rt. 17C, Waverly, NY 14892-0107) Volume(issue)/page/year: 123,-,1976 |
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Oral | Rodent - mouse | 6400 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1906- Volume(issue)/page/year: 34,1196,1940 |
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intravenous | Rodent - mouse | 1200 mg/kg | Behavioral--convulsions or effect on seizure threshold | Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 18,141,1961 |
Drug Information
THE BINDING INTERACTIONS OF BOVINE SERUM ALBUMIN (BSA) WITH THE UNBRANCHED FATTY ACIDS PENTANOATE UP TO NONANOATE WERE EXAMINED. A SINGLE, HIGH-AFFINITY SITE WAS OBSERVED FOR EACH FATTY ACID. FROM BINDING AFFINITY AND COMPETITION DATA, THERE APPEARS TO BE DISTINCT ALBUMIN SITES FOR THE SHORT-CHAIN (LESS THAN OR EQUAL TO C7) FATTY ACIDS.
METABOLISM OF HEPTANOIC ACID, WHICH OCCURS BY BETA-OXIDATION, FOLLOWS THE SAME PATTERN AS OTHER ODD CARBON NUMBER, STRAIGHT CHAIN, ALIPHATIC ACIDS. THIS RESULTS IN THE APPEARANCE OF KETONE BODIES. METABOLISM OF THE REMAINING PROPIONIC ACID MOIETY RESULTS IN GLUCOSE & GLYCOGEN FORMATION.|THE FATTY ACID COMPOSITION OF THE HEART, LIVER, AND EPIDIDYMAL FAT WAS STUDIED AFTER DIETARY ADMIN OF HEPTANOIC ACID TO RATS DEFICIENT IN FATTY ACID. IT HAD NO EFFECT ON FATTY ACID DEFICIENCY IN RATS. ALL OF THE ODD-NUMBERED FATTY ACIDS TESTED SEEMED TO BE MAINLY OXIDIZED THROUGH THE BETA-OXIDATION SPIRAL.
Harmful if swallowed, inhaled, or absorbed through skin. Extremely destructive to mucous membranes, upper respiratory tract, skin, and eyes. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)
Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
FIRST AID ... Inhalation-Fresh air, rest. Half-upright position. Artificial respiration if indicated. Refer for medical attention; Skin-Remove contaminated clothes. Rinse skin with plenty of water or shower; Eyes-First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor; Ingestion-Rinse mouth. Do NOT induce vomiting. Give plenty of water to drink. Rest. Refer for medical attention ... The symptoms of lung oedema often do not become manifest until a few hours have passed and they are aggravated by physical effort. Rest and medical observation is therefore essential.|/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Organic acids and related compounds/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Early intubation, at the first sign of upper airway obstruction, may be necessary. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/
/SIGNS AND SYMPTOMS/ Inhalation-Burning sensation. Cough. Headache. Nausea. Shortness of breath. Vomiting. Wheezing. Symptoms may be delayed; Skin-Skin burns. Pain. Blisters; Eyes-Redness. Pain. Severe deep burns; Ingestion-Abdominal cramps ... The symptoms of lung edema often do not become manifest until a few hours have passed and they are aggravated by physical effort ...|/SIGNS AND SYMPTOMS/ HEPTANOIC ACID IS A PRIMARY SKIN AND EYE IRRITANT IN CONCENTRATED SOLUTIONS.
The substance can be absorbed into the body by inhalation of its aerosol.
Burning sensation. Cough. Headache. Nausea. Shortness of breath. Vomiting. Wheezing. Symptoms may be delayed.
Skin burns. Pain. Blisters.
Redness. Pain. Severe deep burns.
Heptanoic acid Use and Manufacturing
Heptene-1 and synthesis gas are first prepared by carbonylation to obtain heptanal, and then oxidized by air to obtain heptanoic acid. First send 1-heptene synthesis gas (carbon monoxide + hydrogen), circulating gas and catalyst solution into the carbonylation reactor, control the temperature to 94-150 ℃, the pressure is 1.30MPa; the reaction product is separated into aldehyde by flash distillation under reduced pressure Types, catalysts and heavy components can be recycled. The aldehydes are then fed into the oxidizing reactor, where they are oxidized in air at a pressure lower than 0.69 MPa in the mixed transition metal catalyst system. The aldehyde is almost completely converted, so separation and recycling are not required. After removing the trace amount of catalyst contained in the product obtained, it is sent to a double-column rectification system, where the heavy components (which can be used as fuel) are removed in the first column, and the overhead material is sent to the second column to obtain the finished branched-chain acid.
Intermediates of Liquid Crystals
Intermediates
Building/construction materials not covered elsewhere
50,000,000 - 100,000,000 lb|(1980) 7.26X10+9 GRAMS|(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS|Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5431]|Heptanoic acid is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).
Adhesive manufacturing|Heptanoic acid: ACTIVE|NON-ALCOHOLIC BEVERAGES 2.0 PPM; ICE CREAM, ICES, ETC 2.0 PPM; CANDY 6.0 PPM; BAKED GOODS 8.0 PPM; GELATINS & PUDDINGS 6.0 PPM; PRESERVES & SPREADS 2.0 PPM; MARGARINE 5.0 PPM.|Found in various fusel oils in appreciable amounts.|FEMA NUMBER 3348|HEPTANOIC ACID IS DEEMED GRAS BY FEMA.|FLAVOR USEFUL IN CHEESE, DAIRY FLAVORS.
SIMULTANEOUS GAS CHROMATOGRAPHIC SEPARATION OF A MIXT OF 14 LOWER FATTY ACIDS INCL HEPTANOIC ACID IN CIGARETTE SMOKE IS DESCRIBED.
Analyte: heptanoic acid; matrix: blood (plasma); procedure: high-performance liquid chromatography with fluorescence detection at 365 nm (excitation) and 460 nm (emission); limit of quantitation: 5 pmole
EPA Safer Chemical Functional Use Classes -> Uncategorized|Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Flavoring Agents
Computed Properties
Molecular Weight:130.18
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:79
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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