Methyl butyrate

log Kow= 1.29

1.29

1.29

0.8984 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8984 @ 20 °C/4 °C

0.892-0.897

This chemical does not meet GHS hazard criteria for 0.1% (2 of 1693) of reports.

Danger

H225 (99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1693 reports by companies from 7 notifications to the ECHA C&L Inventory.

Danger

Chemical: Butanoic acid, methyl ester

Butanoic acid, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Methyl butyrate: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Irritating to the eyes, nose, throat, upper respiratory tract, and skin. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.

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.

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).

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

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.

General First Aid:

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.

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.

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.

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Immediate precautionary measure

Approved respirator, chemical safety goggles, chemical-resistant gloves, other protective clothing. (USCG, 1999)

Personnel protection: ... Wear appropriate chemical protective gloves, boots, and goggles.

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).

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).

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).

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 was completely biodegraded by aquifer slurries under sulfate-reducing conditions during a 244 day incubation period and under nitrate-reducing conditions during an 85 day incubation period(1). A theoretical methane recovery of 93% was achieved for methyl n-butyrate in an anaerobic aquifer slurry(2). Methyl n-butyrate was rapidly biodegraded by an activated sludge during a 24 hour incubation period(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 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 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.

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.

Used as a solvent, fragrance, and flavoring agent; Used in lacquers; [HSDB]

Painting (Solvents) [Category: Paint]

Solvent for ethylcellulose; solvent mixture for nitrocellulose

USED IN LACQUERS AND PERFUMES

Mfr artificial rum and fruit essences

FRAGRANCE, EG, FOR PERFUMES, SOAPS, DETERGENTS & CREAMS

2023: 500,000 - <1,000,000 lb

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1982) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Not Known or Reasonably Ascertainable

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.