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W319104

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:
4536-23-6
Molecular Weight:
130.18
FEMA Number:
3191
Council of Europe no.:
582
UNSPSC Code:
12164502
PubChem Substance ID:
24901542
Flavis number:
8.035
EC Number:
224-883-9
NACRES:
NA.21
MDL number:
MFCD00002674
Beilstein/REAXYS Number:
1721227
Organoleptic:
fatty; lard; oily; acidic
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Segment

300, 400

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

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).

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pictograms

FlameCorrosion
GHS02,GHS05

signalword

Danger

hcodes

H226,H314

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

134.6 °F - closed cup

flash_point_c

57 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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