Methyl butyrate

102.13

102.13

1740743

210-792-1

CGX598508O

9380

1237

DTXSID5047083

Colorless liquid

2915600000

26.3

1.29

Clear colorless to very slightly yellow Liquid

0.8984 g/cm³ @ Temp: 20 °C

-85.8 °C

102.8 °C @ Press: 760 Torr

53 °F

1.387

Slightly soluble in water.

Flammables area

40 mm Hg ( 30 °C)

3.5 (vs air)

Oral-Rat LD50: 5000mg/kg; Inhalation-Mouse LD50: 18g/m3/2 hours

Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke

1.6%(V)

APPLE-LIKE ODOR

APPLE-LIKE, SWEET TASTE; NOT VERY POWERFUL; BELOW 100 PPM MAY HAVE BANANA-PINEAPPLE FLAVOR

3.04e-12 cm3/molecule*sec

2.05e-04 atm-m3/mole|Henry's Law constant= 2.05X10-4 atm-cu m/mol @ 25 °C

CONVERSION FACTORS: 1 PPM= 4.2 MG/CU M, 1 MG/L= 240 PPM|Hydroxyl radical rate constant= 3.0X10-12 cu cm/molec-sec

Highly flammable. Slightly soluble in water.

Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

Highly Flammable

METHYL BUTYRATE reacts exothermically with acids to generate alcohols and carboxylic acids. Strong oxidizing acids may cause a reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by interaction with basic or caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides (NTP, 1992).

II

3

UN 1237 3/PG 2

2

20-36/37/38-11

16-26-36-33-29-9

ET5500000

F,Xn,Xi

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids

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

P210-P403 + P235

H225

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Methyl butyrate 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.

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)|Flammable - 3rd degree

|Danger|H225 (98.52%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1688 companies from 8 notifications to the ECHA C&L Inventory.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). 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 129 [Flammable Liquids (Water-Miscible / Noxious)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Approved respirator, chemical safety goggles, chemical-resistant gloves, other protective clothing. (USCG, 1999)|Personnel protection: ... Wear appropriate chemical protective gloves, boots, and goggles.

FLAMMABLE, DANGEROUS FIRE RISK.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.

If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to disperse vapors and dilute standing pools of liquid.|Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.

/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.|/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.|/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.|/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.|For more DOT Emergency Guidelines (Complete) data for METHYL N-BUTYRATE (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Methyl n-butyrate was identified, not quantified, in the volatile emissions of common household wastes(1) and in the volatile emissions of arboreous plants(2,3).

slightly toxic

LD50 Rabbit oral 3.38 g/kg

REPORTED FOUND IN WOOD OIL.|Methyl n-butyrate was identified, not quantified, in the volatile emissions of arboreous plants(1,2) and fruits(3,4).

Methyl n-butyrate's production and use as a solvent and flavoring agent(1) 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 120(SRC), determined from a log Kow of 1.29(2) and a regression-derived equation(3), indicates that methyl n-butyrate is expected to have high mobility in soil(SRC). Volatilization of methyl n-butyrate from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 2.05X10-4 atm-cu m/mole(4). Methyl n-butyrate may volatilize from dry soil surfaces based upon a vapor pressure of 32.3 mm Hg(5). Methyl n-butyrate was completely biodegraded by aquifer slurries under sulfate-reducing conditions and under nitrate-reducing conditions(6) and was rapidly oxidized with an activated sludge inoculum(7).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 120(SRC), determined from a log Kow of 1.29(2) and a regression-derived equation(3), indicates that methyl n-butyrate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 2.05X10-4 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 4 hours and 5 days, respectively(SRC). A base-catalyzed second-order hydrolysis rate constant of 0.063 L/mole-sec(SRC) was estimated using a structure estimation method(5); this corresponds to half-lives of 3.3 years and 121 days at pH values of 7 and 8, respectively(5). Methyl n-butyrate was completely biodegraded by aquifer slurries under sulfate-reducing conditions (244 day incubation) and under nitrate-reducing conditions (85 day incubation)(6) and was rapidly oxidized with an activated sludge inoculum(7). According to a classification scheme(8), an estimated BCF of 2(SRC), from its log Kow(2) and a regression-derived equation(9), suggests the potential for bioconcentration in aquatic organisms is low(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methyl n-butyrate, which has a vapor pressure of 32.3 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase methyl n-butyrate 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 5 days(SRC), calculated from its rate constant of 3X10-12 cu cm/molecule-sec at 25 °C(3). Methyl n-butyrate may also undergo direct photolysis in the environment since this compound contains a functional group that typically absorbs light greater than 290 nm(4).

The rate constant for the vapor-phase reaction of methyl n-butyrate with photochemically-produced hydroxyl radicals has been measured as 3X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 5 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.063 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 3.3 years and 121 days at pH values of 7 and 8, respectively(2). The expected hydrolysis products are methanol and butanoic acid. Methyl n-butyrate may also undergo direct photolysis in the environment since this compound contains a functional group that typically absorbs light greater than 290 nm(3).

An estimated BCF of 2 was calculated for methyl n-butyrate(SRC), using a log Kow of 1.29(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 methyl n-butyrate is estimated as 120(SRC), using a log Kow of 1.29(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl n-butyrate is expected to have high mobility in soil(SRC).

The Henry's Law constant for methyl n-butyrate is 2.05X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that methyl n-butyrate 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 4 hours(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 5 days(SRC). Methyl n-butyrate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl n-butyrate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 32.3 mm Hg(3).

Methyl n-butyrate was identified, not quantified, in drinking water from the UK(1) and the Netherlands(2).

Methyl n-butyrate was identified, not quantified, in the volatile emissions of kiwi fruit(1), strawberries and apples(2), blue cheese(3) and eggs(4). Methyl n-butyrate was detected in grapefruit juice at a concn of 0.0019 ppm(5). Methyl n-butyrate was detected in orange juice at concns of 0.0001-0.033 ppm(6).

Occupational exposure to methyl n-butyrate may occur through inhalation and dermal contact with this compound at workplaces where methyl n-butyrate is produced or used. The general population may be exposed to methyl n-butyrate via ingestion of food products containing methyl n-butyrate. (SRC)

Methyl n-butyrate was identified, not quantified, in human adipose tissue(1).

A radiochemical assay for carboxylesterase based on the substrate methyl[1-(14)C]butyrate is described. The blank value corresponds to 1.04 ug (liver)-1.44 mg (plasma) of tissues with the highest and lowest activity respectively, which constitute the sensitivity of the method. The hydrolysis of methyl butyrate and 4-nitrophenyl butyrate by plasma, liver, lung, heart, diaphragm, cerebrum, kidney and duodenum of rat have been compared. The results showed that the two substrates were hydrolysed preferentially by two different groups of the enzyme. The effect of selective esterase inhibitors showed that both groups can be characterized as carboxylesterase, because bis-4-nitrophenyl phosphate inhibits the hydrolysis of both substrates, physostigmine has only a slight effect and EDTA is no inhibitor. The exception is the enzyme in the duodenum which is inhibited by all three inhibitors. The effect of phenobarbital induction and soman treatment on enzyme activity towards the two substrates were similar. Sex difference in the plasma activity towards methyl butyrate, but not 4-nitrophenyl butyrate, indicates that the group of carboxylesterase preferentially hydrolyzing 4-nitrophenyl butyrate may be the most important for the detoxification of soman.

Irritating to the eyes, nose, throat, upper respiratory tract, and skin. (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. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. 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. 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. Be prepared to transport the victim to a hospital if advised by a physician. 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. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Basic Treatment: Establish a patent airway. 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 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 normal saline 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 ... . /Esters and related compounds/|Advanced Treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. 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 ... . Consider drug therapy for pulmonary edema ... . Use propaparacaine hydrochloride to assist eye irrigation ... . /Esters and related compounds/

methyl butanoate

Grade: technical

Butanoic acid, methyl ester: ACTIVE|FEMA NUMBER 2693|NON-ALCOHOLIC BEVERAGES 17 PPM, ICE CREAM, ICES ETC 31 PPM, CANDY 86 PPM, BAKED GOODS 48-200 PPM.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]|Fire Hazards -> Flammable - 3rd degree

Flavoring Agents