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Merck
CN

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

Key Documents

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Product Name

2-Methylhexanoic acid, ≥99%, FG

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

biological source

synthetic

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

Quality Level

300
400

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Related Categories

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).

General description

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

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ3098
SHBP3655
SHBQ2219
SHBN2500
SHBN2498

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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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