Methyl decanoate

186.29

186.29

203-766-6

U9L2W51J0B

3713

DTXSID4026842

2915900090

26.3

4.7

Liquid

0.8730 g/cm³ @ Temp: 20 °C

-18 °C

224 °C @ Press: 760 Torr

94.4±0.0 °C

1.427

0.0044 mg/mL at 20 °C

0.037 mm Hg @ 25 deg C

WT/VOL CONVERSION: 12.18 MG/CU M= 1 PPM

UN 3082 9 / PGIII

1

HD9830000

P273-P391-P501

H411

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.

|H411 (94.12%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 217 companies from 5 notifications to the ECHA C&L Inventory.|Warning|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501

SOIL: Methyl decanoate was qualitatively detected in soil samples from Southern Alberta, Canada, in strata associated with the Mazama volcano eruption which occurred approximately 7000 years ago(1).

INDOOR AIR: Methyl decanoate was qualitatively detected in the kitchen of a Danish restaurant(1).

Linear saturated fatty acid methyl esters were comitogenic with lectins for mouse lymphocytes, the degree of comitogenicity being strongly dependent on the length of the acyl group, and maximal for methyl tetradecanoate. Lesser effects were found for analogs with 10, 12, or 16 acyl carbon atoms, whereas those with fewer than 10 or more than 16 were inactive. /Methyl esters/

Methyl decanoate was identified as a component of cassava and farine(1) and blue(2) and Beaufort cheese(3).

Methyl decanoate's production and use as a synthetic intermediate and flavoring(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 470(SRC), determined from a structure estimation method(2), indicates that methyl decanoate is expected to be moderately mobile in soil(SRC). Volatilization of methyl decanoate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.0017 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Methyl decanoate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.037 mm Hg(4). Methyl decanoate is expected to rapidly biodegrade in aerobic soils as suggested by the rapid biodegradation of structurally similar long-chain fatty acid esters(5-7).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 470(SRC), determined from a structure estimation method(2), indicates that methyl decanoate is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.0017 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Volatilization half-lives for a model river and model lake are 5 hours and 6 days, respectively(SRC), using an estimation method(3). According to a classification scheme(5), an estimated BCF of 50(SRC) from its log Kow of 4.41(11) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is moderate. Methyl decanoate is expected to rapidly biodegrade in aerobic waters as suggested by the rapid biodegradation of structurally similar long-chain fatty acid esters(7-9). An estimated base-catalyzed second-order hydrolysis rate constant of 0.030 L/mole-sec(10,SRC) corresponds to half-lives of 7 years and 270 days at pH values of 7 and 8, respectively(10).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methyl decanoate, which has a vapor pressure of 0.037 mm Hg at 25 °C(2), will exist solely as a vapor in the ambient atmosphere. Vapor-phase methyl decanoate 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 37 hours(SRC) from its estimated rate constant of 1.0X10-11 cu cm/molecule-sec at 25 °C(3).

The rate constant for the vapor-phase reaction of methyl decanoate with photochemically-produced hydroxyl radicals has been estimated as 1.0X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 37 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.03 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 7.3 years and 266 days at pH values of 7 and 8, respectively(2). Methyl decanoate is not expected to directly photolyze due to the lack of absorption in the environmental UV spectrum(3).

An estimated BCF of 50 was calculated for methyl decanoate(SRC) using a log Kow of 4.41(1) and a regression-derived equation(2). According to a classification scheme(3), the estimated BCF suggests the potential for bioconcentration in aquatic organisms is moderate. However, bioconcentration studies on compounds which are structurally similar(4,5) suggest that bioconcentration may be lower than that indicated by the regression-derived equation due to the ability of aquatic organisms to readily metabolize this class of compounds.

Using a structure estimation method based on molecular connectivity indices(1), the Koc for methyl decanoate can be estimated to be about 470(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl decanoate is expected to have moderate mobility in soil.

The Henry's Law constant for methyl decanoate is estimated as 0.0017 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that methyl decanoate 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 approximately 5 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 approximately 6 days(SRC). Methyl decanoate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur but may be attenuated by adsorption to soil(SRC). Methyl decanoate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.037 mm Hg(3).

Methyl decanoate was identified as a component of the aroma fraction of blue cheese(1) and Beaufort cheese(2). It was detected as a natural flavoring constituent of cassava and farine(3).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 381 workers (none of these are female) are potentially exposed to methyl decanoate in the US(1). Occupational exposure to methyl decanoate may occur through inhalation and dermal contact with this compound at workplaces where methyl decanoate is produced or used(SRC). The general population may be exposed to methyl decanoate due to its use as a flavoring(2) and because of its natural presence in some foods(3-5).

One of eight samples of mother's milk collected in 4 urban/industrial areas in the United States were positive for the presence of methyl decanoate(1,2).

Grades: ...99.8% Pure.

All other basic organic chemical manufacturing|Decanoic acid, methyl ester: ACTIVE|.../METHYL CAPRATE/ HAS BACTERICIDAL PROPERTIES.|An emulsion of this ester will debud chrysanthemums chemically. Not commercial.

Food additives -> Flavoring Agents|Agrochemicals -> Acaricides, Herbicides, Insecticides, Plant Growth Regulators|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Flavoring Agents