2-methyl heptanoic acid

2-methylheptanoic acid

CAS: 1188-02-9 C8 H16 O2 MW: 144.21392000 waxy waxy

Identification

Name2-methyl heptanoic acid
IUPAC2-methylheptanoic acid
CAS Number1188-02-9
EINECS214-704-2
FDA UNII42C9131FOZ
Molecular FormulaC8 H16 O2
Molecular Weight144.21392000
MDL NumberMFCD00142944
Nikkaji NumberJ203.450F
CoE Number2003
XlogP32.90 (est)

Regulatory

JECFA Food Flavoring1212 2-methylheptanoic acid
DG SANTE Food Flavourings08.047 2-methylheptanoic acid
FEMA Number2706
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)1188-02-9 ; 2-METHYLHEPTANOIC ACID
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless clear oily liquid (est)
Assay 97.00 to 100.00
Additional Assay Information racemate
Food Chemicals Codex Listed No
Specific Gravity 0.90700 to 0.90900 @ 20.00 °C.
Pounds per Gallon - (est). 7.556 to 7.573
Refractive Index 1.42400 to 1.42600 @ 20.00 °C.
Melting Point 15.00 °C. @ 760.00 mm Hg
Boiling Point 140.00 °C. @ 30.00 mm Hg, 121.00 to 122.00 °C. @ 13.00 mm Hg
Vapor Pressure 0.018000 mmHg @ 25.00 °C. (est)
Flash Point > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w) 2.579 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description
at 1.00 % in propylene glycol.
Waxy, green, cheesy and sweaty
Waxy green cheese sweaty butter milk
Taste Description at 40.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Maximised Survey-derived Daily Intakes (MSDI-EU)14.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)6.00 (μg/capita/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

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Potential Uses

FR apple FR apricot FR berry FL beverage FL butter FL caramel FL cheese FR coconut FL dairy FL nut FR peach FR vanilla FL walnut

Natural Occurrence

lamb PMC mutton boiled mutton PMC tea black tea

Synonyms

heptanoic acid, 2-methyl- methyl amyl acetic acid 2- methyl enanthic acid methyl heptanoic acid methyl heptanoic acid alpha- methyl heptanoic acid 2- methyl oenanthic acid methylamylacetic acid 2- methylenanthic acid 2- methylheptanoic acid a- methylheptanoic acid 2- methylheptanoicacid 2- methyloenanthic acid PubMed: Profiling Turkish honeys to determine authenticity using physical and chemical characteristics. PubMed: Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns. PubMed: Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines. PubMed: "Radiochemically pure [1-14C]valproic acid"--a mixture of labeled structural isomers. PubMed: Studies on SF=1902 A2 A5, minor components of SF-1902 (globomycin).