111-11-5CCCCCCCC(=O)OCJGHZJRVDZXSNKQ-UHFFFAOYSA-NMethyl octanoate appears as a colorless liquid. Insoluble in water and about the same density as water. Used to make other chemicals.
111-11-5DTXSID2026864CHEMBL3183908CHEBI:87432Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
0.8775 @ 20 °C/4 °C
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This chemical does not meet GHS hazard criteria for 11.3% (206 of 1827) of reports.
Warning
H317 (88%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1827 reports by companies from 7 notifications to the ECHA C&L Inventory.
Warning
Chemical: Octanoic acid, methyl ester
Octanoic acid, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanoic 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)
TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
2008/127, Reg. (EU) 2017/195, Reg. (EU) 2020/1160, Reg. (EU) 2021/745, Reg. (EU) 2023/1446, Reg. (EU) 2024/1280, Reg. (EU) 2024/2221, Reg. (EU) 2025/1092, Reg. (EU) No 540/2011
REACH registered substance: Methyl octanoate (EC: 203-835-0)
Octanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Used as a flavoring ingredient and as an intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, plasticizers, resins, lubricants, alkanolamides, fatty alcohols, and acids; [HSDB]
Intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, plasticizers, resins, lubricants; flavoring
CHEM INT-EG, FOR ALKANOLAMIDES, FATTY ALCOHOLS & ACIDS
FLAVORING AGENT, EG, IN CANDY & BAKED GOODS
2023: 5,000,000 - <10,000,000 lb
(1979) No Data
(1981) No Data
a) esterification of caprylic acid with methanol, b) alcoholysis of coconut oil.
REACTION OF TRIGLYCERIDES, EG, COCONUT OR PALM KERNEL OIL, WITH METHANOL FOLLOWED BY FRACTIONAL DISTILLATION; REACTION OF CAPRYLIC ACID WITH METHANOL
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Skin conditioning; Emollient
Wird geladen…
0.875-0.890
Methyl octanoate 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 REVIEW OF DATA COVERING THE SPECIFIC GROUP OF STRUCTURALLY RELATED COMPD DESIGNATED IN TITLE. ALSO DATA ON TOXICITY, AND METABOLISM, USAGE AND NATURAL OCCURRENCE IN FOODS, AND COMPOSITIONAL SPECIFICATIONS.[ANON; SCIENTIFIC LITERATURE REVIEW OF ALIPHATIC PRIMARY ALCOHOLS, ALDEHYDES, ESTERS AND ACIDS IN FLAVOR USAGE. FIFTH SUPPLEMENT; GOVT REPORTS ANNOUNCEMENTS & INDEX (GRA&I), (23) (1979)]
METHYL OCTANOATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Skin Sens. 1 (88%)
Flammable liquids - Category 4
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.
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.
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1,500(SRC), determined from an estimated log Kow of 3.32(2,SRC) and a regression-derived equation(3), indicates that methyl n-octanoate is expected to have low mobility in soil(SRC). Volatilization of methyl n-octanoate from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 7.83X10-4 atm-cu m/mole(4). Volatilization from dry soil surfaces is not expected to be an important fate process(SRC) based upon a vapor pressure of 0.54 mm Hg(5). Methyl n-octanoate was rapidly oxidized with an activated sludge inoculum(6), suggesting this compound will biodegrade in soil surfaces(SRC).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1,500(SRC), determined from an estimated log Kow of 3.32(2,SRC) and a regression-derived equation(3), indicates that methyl n-octanoate is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 7.83X10-4 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 2 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-octanoate was rapidly oxidized with an activated sludge inoculum(6), suggesting this compound will biodegrade in water surfaces(SRC). According to a classification scheme(7), an estimated BCF of 72(SRC), from its log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methyl n-octanoate, which has a vapor pressure of 0.54 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase methyl n-octanoate 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 days(SRC), calculated from its estimated rate constant of 7.1X10-12 cu cm/molecule-sec at 25 °C(3). Methyl n-octanoate may also undergo direct photolysis in the environment since this compound contains a functional group that can absorb UV light greater than 290 nm(4).
FOUND IN ORRIS ESSENTIAL OIL IN THE FRUITS OF ANANUS SATIVUS LINDL, IN STRAWBERRY, PINEAPPLE, AND PEAR.
Methyl n-octanoate was identified, not quantified, in the volatile emissions of cassava(1), nectarines(2) and grape juice(3).
The Koc of methyl n-octanoate is estimated as 1,500(SRC), using an estimated log Kow of 3.32(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl n-octanoate is expected to have low mobility in soil(SRC).
An estimated BCF of 72 was calculated for methyl n-octanoate(SRC), using an estimated log Kow of 3.32(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).
The Henry's Law constant for methyl n-octanoate is 7.83X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that methyl n-octanoate 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 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-octanoate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Volatilization from dry soil surfaces is not expected to be an important fate process(SRC) based upon a vapor pressure of 0.54 mm Hg(3).
USING DEPRESSED GROWTH RESPONSE AS A CRITERION, THE EFFECTS OF METHYL ESTERS OF FATTY ACIDS OF CHAIN LENGTH 4-18 CARBONS ON ESSENTIAL FATTY ACID DEFICIENCY WERE STUDIED. THE HIGHEST MORTALITY WAS OBSERVED IN FEMALE AND MALE RATS FED METHYL CAPRYLATE.
Moderately toxic by intravenous route. Mildly toxic by ingestion. Mutation data reported.
Methyl octanoate 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.
All Other Basic Organic Chemical Manufacturing
Octanoic acid, methyl ester: ACTIVE
Methyl caprylate...has antibacterial, antilarval, and miticidal properties. ... methyl octanoate occasionally occurs mixed with methyl decanoate.
METHYL ESTER OF CAPRYLATE WAS ALSO STUDIED AND FOUND TO BE A GROWTH INHIBITOR AND WAS EFFECTIVE @ 1%.
NON-ALCOHOLIC BEVERAGES 0.02-1.0 PPM; ICE CREAM, ICES ETC 1.0-10 PPM; CANDY 13 PPM; BAKED GOODS 1.0-40 PPM.
FEMA NUMBER 2728