1-Heptanol

116.2

116.20

1731686

203-897-9

8JQ5607IO5

1082

3703

2810

DTXSID8021937

Colorless liquid

29051900

20.2

2.62

Clear Liquid

0.8219 g/cm³ @ Temp: 20 °C

-34.6 °C

175.8 °C @ Press: 760 Torr

165 °F

n 20/D 1.424(lit.)

H2O: 2.85 g/L (100 ºC)

Store below +30°C.

0.5 mm Hg ( 20 °C)

Relative vapour density (air = 1): 4.01

Oral-Rat LD50: 500 mg/kg; Oral-Mouse LD50: 1500 mg/kg

Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke

0.9%(V)

Fragrant

PUNGENT, SPICY TASTE

1.37e-11 cm3/molecule*sec

1.88e-05 atm-m3/mole|Henry's Law constant = 1.88X10-5 atm-cu m/mol at 25 °C

Water solutions are colloidal|Hydroxyl radical reaction rate constant = 1.37X10-11 cu cm/molec-sec at 25 °C

No rapid reaction with air. No rapid reaction with water.

Alcohols and Polyols

HEPTANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

275 °C

4637.9 kJ/mol at 298.15 deg K (liquid); 4704.8 kJ/mol at 298.15 deg K (gas)

66.81 kJ/mol at 25 °C

Critical temperature = 632.5 deg K; Critial pressure = 3.135 MPa

III

6.1(b)

2810

1

20/21/22-36-52

36-36/37/39-26

MK0350000

Xn,Xi

Warehouse ventilated, low temperature and dry

Stable. Flammable. Incompatible with strong acids, strong oxidizing agents.

P305 + P351 + P338

H319

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.

Can react with oxidizing materials.

Heptyl alcohol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.

OPDYKE DL J; MONOGRAPHS ON FRAGRANCE RAW MATERIALS. ALCOHOL C-7; FOOD COSMET TOXICOL 13 (SUPPL): 697 (1975). NATURAL OCCURRENCE & PREPN, COSMETIC & PERFUME USE, LEGAL STATUS FOR USE IN FOOD, & METABOLISM & TOXICOLOGY OF ALCOHOL C-7 ARE REVIEWED WITH 16 REFERENCES.

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2016)|Combustible. Above 70 °C explosive vapour/air mixtures may be formed.

|Warning|H319 (94%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 1516 companies from 9 notifications to the ECHA C&L Inventory.|H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]|H227: Combustible liquid [Warning Flammable liquids]|P210, P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501

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)

Chemical goggles or face shield. (USCG, 1999)|Personal protection: filter respirator for organic gases and vapours.

Fire hazard moderate when exposed to heat of flame; can react with oxidizing materials.

Explosive limits , vol% in air: 0.9-?

/To fight fire use/ alcohol foam, carbon dioxide, dry chemical.

AEROBIC: 1-Heptanol degrades fast in aerobic biodegradation screening tests(1-5). In a 5-day BOD test using acclimated mixed cultures, 56.3% of theoretical BOD was consumed(1). Other tests show 30% of theoretical BOD was expended in 5 days(2) and 28.9% of theoretical BOD was expended in 1 day using 500 ppm of 1-heptanol and an activated sludge inoculum(3). An aerobic biodegradation rate constant of 0.124 1/hr(4), which corresponds to a half-life of 0.23 days(SRC), was determined in an aerobic screening test at pH 7 and 25 °C using an activated sludge inocula. In a similar screening test, the rate constant was measured to be 2.53X10-2 1/hr(5), which corresponds to a biodegradation half-life of 1.14 days(SRC).|Do NOT let this chemical enter the environment. Cover the spilled material with absorbent. Collect leaking liquid in sealable containers.

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Cover the spilled material with inert absorbent. Collect leaking and spilled liquid in sealable containers as far as possible.

Separated from strong acids, oxidants and food and feedstuffs.

A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.

The substance is irritating to the eyes and respiratory tract. The substance is mildly irritating to the skin. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. Exposure at high levels could cause effects on the central nervous system.

The substance defats the skin, which may cause dryness or cracking.

NO open flames. Above 70 °C use a closed system and ventilation.

Use ventilation.

Protective gloves.

Wear safety goggles.

1-Heptanol was detected in concentrates of effluent from advanced treatment plants in Pomona, CA(1). Emissions of 1-heptanol, in percent of total carbon emission, were identified in roadway emissions (0.02), bus parking garage, hot soak (0.54), bus parking garage, cold start (0.12), motorcycle emissions (0.01), petroleum refinery emissions (0.05), lead smelter (0.36), and cast iron factory emissions (0.23) in Cairo, Egypt(2). 1-Heptanol was detected but not quantified in the emissions of waste exudate(3) and kitchen waste exudate(4).

RURAL/REMOTE: 1-Heptanol was found in ambient air samples from Fernbank Forest, Atlanta, GA(1).

moderately toxic

LD50 Rat (male) oral 6.2 g/kg|LD50 Rat (female) oral 5.5 g/kg|LD50 Rat oral 3.25 g/kg|LD50 Mouse oral 4.3 g/kg|LD50 Rabbit dermal 2 g/kg

/AQUATIC SPECIES/ /In flow through acute toxicity testing using Pimephales promelas (Fathead minnow) exposed to concentrations of 0, 12.5, 19.3, 29.7, 45.7, and 70.3 mg/L 1-heptanol for 96 hr,/ affected fish lost schooling behavior and were hypoactive. Half of the affected fish were located at the surface and the other half on the bottom of the aquaria. They were underreactive to external stimuli, darkly colored, and they lost equilibrium prior to death.

1-Heptanol is a volatile chemical found in plants(1), essential oils, such as hyacinth, violet leaves, and Litsea zeylanica(2), meats(3,4), fruits(5,6) and vegetables(7,8). 1-Heptanol has been identified in the emissions from Dawn redwood trees(9).

1-Heptanol's production and use as an intermediate in the manufacture of plasticizers (phthalates and adipates) and as solvents or solubilizers in the paint and printing ink industry and other sectors(1) may result in its release to the environment through various waste streams. Pure 1-heptanol is not used for these purposes but rather isomeric mixtures of C7 alcohols and C7-C11 alcohol mixtures(1).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 74(SRC), determined from a water solubility of 1670 mg/L(2) and a regression-derived equation(3), indicates that 1-heptanol is expected to have high mobility in soil(SRC). Volatilization of 1-heptanol from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.88X10-5 atm-cu m/mole(4). 1-Heptanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.216 mm Hg(5). 1-Heptanol has been demonstrated to be readily biodegradable in aerobic screening tests(6-10) and therefore should biodegrade in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 74(SRC), determined from a water solubility of 1670 mg/L(2) and a regression-derived equation(3), indicates that 1-heptanol is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.88X10-5 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2.2 days and 20 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 21(SRC), from its log Kow of 2.62(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 1-Heptanol has been demonstrated to be readily biodegradable in aerobic screening tests(8-12) and therefore should biodegrade in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-heptanol, which has a vapor pressure of 0.216 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-heptanol 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 28 hours(SRC), calculated from its rate constant of 1.36X10-11 cu cm/molecule-sec at 25 °C(3).

The rate constant for the vapor-phase reaction of 1-heptanol with photochemically-produced hydroxyl radicals has been estimated as 1.36X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 28 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 1-Heptanol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2).

An estimated BCF of 21 was calculated for 1-heptanol(SRC), using a log Kow of 2.62(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).

13.80 L/kg|The Koc of 1-heptanol is estimated as 74(SRC), using a water solubility of 1,670 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-heptanol is expected to have high mobility in soil.

The Henry's Law constant for 1-heptanol is 1.88X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 1-heptanol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2.2 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 20 days(SRC). 1-Heptanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Heptanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.216 mm Hg(3).

DRINKING WATER: 1-Heptanol has been reported in drinking water(1,2). It was detected in finished drinking water concentrates in tap water and at a treatment plant in Cincinnati, OH(1). Cincinnati drinking water is derived from the Ohio River(1).

1-Heptanol is a food volatile found in meat and seafood such as raw beef(1), frankfurters(2) fried bacon(3), duck(4), raw and roasted earth almonds (Cyperus esculentus L.)(5), clams(6), and short-necked clams(6). It has been identified as a volatile of nectarines(7), chickpeas(8), Kogyoku apples(9), peanut oil(10), and champagne(11). 1-Heptanol has also been identified as an aroma component of Beaufort (Gruyere) cheese(12). Fermented soybean (Glycine max) curds were found to contain 275.7 ug/kg of 1-heptanol(13).

1-Heptanol was detected, not quantified in store bought milk in Australia(1).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 17 workers are exposed to 1-heptanol in the USA(1). Occupational exposure to 1-heptanol may occur through inhalation and dermal contact with this compound at workplaces where 1-heptanol is produced or used(SRC). Monitoring data indicate that the general population may be exposed to 1-heptanol via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with this compound and other products containing 1-heptanol(SRC).

Of the expired air from an urban population of 54 normal, healthy, nonsmoking subjects (387 samples), 39.5% were positive for 1-heptanol, containing a geometric mean concn of 3.9 ng/L(1). The one-sigma limits were 1.86 and 8.2 ng/L. Besides being carefully selected, subjects refrained from medication for 14 days prior to sampling and for 7 days prior to sampling avoided prolonged exposure to perfume, paint, glue, aerosols, dust, tobacco smoke, or areas polluted with industrial waste.

The dermal flux for 1-heptanol in human skin (epidermis) in vitro is 0.021 mg/sq cm/hr.

1-Heptanol is primarily oxidized in the rabbit to heptanoic acid, which either undergoes further oxidation to CO2 or forms an ester glucuronide. There is also a lesser metabolic pathway using direct conjugation with glucuronic acid to form an ether glucuronide conjugate.

... The epicardial surface of 12 isolated-perfused canine left atria was optically mapped before and after 1-50 microM heptanol infusion. At baseline, no sustained (>30 s) AF could be induced in any of the 12 tissues. However, after 2 microM heptanol infusion, sustained AF was induced in 9 of 12 tissues (P < 0.001). Heptanol >5 microM caused loss of 1:1 capture during rapid pacing, causing no AF to be induced. ... Heptanol at 2 microM had no effect on the cellular action potential duration restitution or on the maximal velocity rate over time of the upstroke. The effects of heptanol were reversible.|... The experiments investigated the effects of heptanol on isolated Langendorff-perfused rabbit hearts. Heptanol inhibited both pressure generation and electrical conduction. These effects were completely reversible ... Low concentrations of heptanol (less than 0.3 mM) caused small but significant increases in the delay between the stimulus (delivered to the basal septum) artifact and local activation of the left ventricle, as measured from bipolar electrogram (BEG) recordings. There was a steep increase in the latency between stimulus and left-ventricular activation at concentrations of heptanol above 0.3 mM ... Heptanol decreased repolarization duration, measured from the activation recovery interval (ARI) of BEGs, and monophasic action potential duration at 70% repolarization (MAPD70). Heptanol also reduced left-ventricular developed pressure (LVDP), and the maximum rates of contraction and relaxation of the left ventricle; these effects were concentration dependent and reversible. Changes in ARIs, LVDP and the maximum rates of change of pressure lacked the steep response to 0.3 to 1.0 mM heptanol shown by the latency ... During premature stimulation protocols arrhythmias could be induced in hearts perfused with 0.1 to 0.3 mM heptanol but not at higher concentrations.|... Incubation of n-heptane with microsomal extracts resulted in formation of four isomeric n-heptanols. The relationship of the hydroxylating process to protein concentration and to the formation of the three main alcoholic products, namely 1-heptanol (111706), 2-heptanol (543497), and 3-heptanol (589822), were linear up to 1mg/4 minutes. Treatment of rats with phenobarbitol (50066) for 2 days enhanced hydroxylation and formation of 2-heptanol, 3-heptanol and 4-heptanol about 4 fold, but 1-heptanol was increased only 60 percent. In contrast, 3,4-benzpyrene depressed the formation of 1-heptanol to about 70 percent and increased the formation of 3-heptanol and 4-heptanol slightly. Carbon-monoxide inhibited formation of 1-heptanol. Similar results were obtained with metyrapone.|... Heptanol caused a significant growth inhibition of Xenopus tadpoles and the median lethal dose and mean teratogenic effect at 120 hours were 1.49 and 0.37 millimolar, respectively. The teratogenic index of 4.03 suggested that heptanol is a strong teratogen.

Low toxicity; liquid may irritate eyes. (USCG, 1999)

Flush all affected parts with plenty of water. (USCG, 1999)

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Basic Treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures 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. Administer activated charcoal ... . /Higher alcohols (>3 carbons) and related compounds/|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. Positive-pressure ventilation techniques, with a bag-valve-mask device, may be beneficial. Consider drug therapy for pulmonary edema ... . 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 ... . Monitor for signs of hypoglycemia (decreased LOC, tachycardia, pallor, dilated pupils, diaphoresis, and/or dextrose strip or glucometer readings below 50 mg) and administer 50% dextrose if necessary ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Higher alcohols (>3 carbons) and related compounds/

/HUMAN EXPOSURE STUDIES/ 1-Heptanol (1% in petrolatum) was not irritating after a 48-hr closed skin patch test, and it did not produce a skin sensitization reaction in 20 human volunteers.|/SIGNS AND SYMPTOMS/ The substance is irritating to the eyes and the respiratory tract, and is mildly irritating to the skin. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. At high levels the substance may cause effects on the central nervous system.

1 Heptanol

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.

Cough. Sore throat.

Redness.

Redness. Pain.

Approximately 70-80% are processed into plasticizers.

C7 alcohol isomeric mixtures|C7-C9-C11 alcohol isomeric mixtures|C7-C8-C9 alcohol isomeric mixtures

All other basic organic chemical manufacturing|1-Heptanol: ACTIVE|Heptanol: ACTIVE|Reported found in a few essential oils: hyacinth, violet leaves, Litsea zeylanica.|Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol" /eg, 1-heptanol/, and the mixtures are called "-yl alcohol /eg, heptyl alcohol/ or "iso ... yl alcohol" /eg, isoheptyl alcohol/.|/Used in/ non-alcoholic beverages 4.14 ppm; ice cream, ices, etc 5.28 ppm; candy 4.38 ppm; baked goods 11.22 ppm.|In addition to C7/C9/C11 mixtures, C7/C9 and C11 fractions also are available. In the United States, practically the whole production is processed further to phthalates or adipates, used as plasticizers.|Used as a solvent in the wet-process superphosphoric acid extraction by USS Agri-Chemicals

CHROMATOGRAPHIC DETERMINATION OF COMPOSITION OF LOWER ALIPHATIC ALCOHOLS IN WASTE WATER. SENSITIVITY OF DETECTION WAS 10-6% USING A FLAME IONIZATION DETECTOR.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty alcohols [FA05]

Flavoring Agents