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Safety Information

W319104

Sigma-Aldrich

2-Methylhexanoic acid

≥99%, FG

Synonym(s):

2-Methylcaproic acid

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About This Item

Linear Formula:
CH3(CH2)3CH(CH3)COOH
CAS Number:
Molecular Weight:
130.18
FEMA Number:
3191
Beilstein:
1721227
EC Number:
Council of Europe no.:
582
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
8.035
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

Assay

≥99%

refractive index

n20/D 1.422 (lit.)

bp

209-210 °C (lit.)

density

0.918 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

fatty; lard; oily; acidic

SMILES string

CCCCC(C)C(O)=O

InChI

1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

InChI key

CVKMFSAVYPAZTQ-UHFFFAOYSA-N

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General description

2-methylhexanoic acid has been identified as one of the volatile flavor compounds in the peel and pulp of doum fruit.

Application


  • Update to RIFM fragrance ingredient safety assessment, 2-methylhexanoic acid, CAS registry number 4536-23-6.: This study updates the safety assessment of 2-methylhexanoic acid used in fragrance applications (Api et al., 2024).

  • Sustainable Biocatalytic Procedure for Obtaining New Branched Acid Esters.: This paper presents a novel biocatalytic method for synthesizing branched acid esters, utilizing 2-methylhexanoic acid as a precursor (Montiel et al., 2021).

Pictograms

FlameCorrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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Volatile Flavor Compounds of Peel and Pulp from Doum (Hyphaene thebaica L.) Fruit.
Aboshora W, et al.
American Journal of Food Science and Nutrition Research, 4(5), 165-169 (2017)

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