2-methyl hexanoic acid

2-methylhexanoic acid

CAS: 4536-23-6 C7 H14 O2 MW: 130.18698000 cheesy oily

Identification

Name2-methyl hexanoic acid
IUPAC2-methylhexanoic acid
CAS Number4536-23-6
EINECS224-883-9
FDA UNIILUK37N0QM8
Molecular FormulaC7 H14 O2
Molecular Weight130.18698000
MDL NumberMFCD00002674
Nikkaji NumberJ108.732K
Beilstein1721227
CoE Number582
XlogP32.30 (est)

Regulatory

JECFA Food Flavoring265 2-methylhexanoic acid
DG SANTE Food Flavourings08.035 2-methylhexanoic acid
FEMA Number3191
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)4536-23-6 ; 2-METHYLHEXANOIC ACID

Physical Properties

Appearance colorless clear oily liquid (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.90800 to 0.91500 @ 25.00 °C., 0.91400 to 0.91800 @ 20.00 °C.
Pounds per Gallon - (est). 7.555 to 7.614
Pounds per Gallon - est. 7.614 to 7.648
Refractive Index 1.41600 to 1.42300 @ 20.00 °C.
Boiling Point 209.00 to 210.00 °C. @ 760.00 mm Hg, 105.00 °C. @ 5.00 mm Hg
Vapor Pressure 0.058000 mmHg @ 25.00 °C. (est)
Vapor Density >1 ( Air = 1 )
Flash Point 215.00 °F. TCC ( 101.67 °C. )
logP (o/w) 2.070 (est)
Soluble in alcohol

Organoleptic Properties

Odor Strength medium ,
Substantivity > 24 hour(s) at 100.00 %
Odor Description
at 10.00 % in dipropylene glycol.
Acidic, oily, fatty, lard and chicken fat with roasted and roasted savory nuances
pleasant, cheese-like
fruity and cheese-like
Taste Description
at 40.00 ppm.
Acidic, cheese, milk
Oily, creamy, dairy and fatty
Very interesting combination of cheesy, creamy and fruity notes

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
Recommendation for 2-methyl hexanoic acid usage levels up to0.0500 % in the fragrance concentrate.
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 berry FL cheese FL dairy FL fat chicken fat FL fruit tropical fruit FR kiwi FL lard FR passion fruit FR raspberry FL savory

Natural Occurrence

apple fruit PMC cheese parmesan cheese PMC cognac PMC lamb PMC lamb cooked lamb PMC potato baked potato strawberry wild strawberry fruit tea black tea wine

Synonyms

2- butylpropionic acid 2- hexane carboxylic acid 2- hexanecarboxylic acid hexanoic acid, 2-methyl- 2- methyl caproic acid alpha- methyl caproic acid 2- methylcaproic acid a- methylcaproic acid 2- methylhexanoic acid 2- methylhexanoicacid PubMed: Evaluation of an alternative in vitro test battery for detecting reproductive toxicants in a grouping context. PubMed: Cyclic depsipeptides, grassypeptolides D and E and Ibu-epidemethoxylyngbyastatin 3, from a Red Sea Leptolyngbya cyanobacterium. PubMed: Binding of α,α-disubstituted amino acids to arginase suggests new avenues for inhibitor design. PubMed: Carriebowmide, a new cyclodepsipeptide from the marine cyanobacterium Lyngbya polychroa. PubMed: Natural organic compounds as alternative to methyl bromide for nematodes control. PubMed: Normal-phase chiral liquid chromatography-mass spectrometry of non-UV-active compounds: applications for pharmaceutically relevant racemates. 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: Isolation and structure determination of lyngbyastatin 3, a lyngbyastatin 1 homologue from the marine cyanobacterium Lyngbya majuscula. Determination of the configuration of the 4-amino-2,2-dimethyl-3-oxopentanoic acid unit in majusculamide C, dolastatin 12, lyngbyastatin 1, and lyngbyastatin 3 from cyanobacteria. PubMed: Synthesis of (R)-2-methyl-4-deoxy and (R)-2-methyl-4,5-dideoxy analogues of 6-phosphogluconate as potential inhibitors of 6-phosphogluconate dehydrogenase. PubMed: Ulongamides A-F, new beta-amino acid-containing cyclodepsipeptides from Palauan collections of the marine cyanobacterium Lyngbya sp. PubMed: Kulokekahilide-1, a cytotoxic depsipeptide from the cephalaspidean mollusk Philinopsis speciosa. PubMed: Mechanisms of microenvironmental pH regulation in the cuticle of Ascaris suum. PubMed: The structure of manumycin. III. Absolute configuration and conformational studies.