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W319104

Sigma-Aldrich

2-Methylhexanoic acid

≥99%, FG

Synonym(s):

2-Methylcaproic acid

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10 MG
₩207,162

About This Item

Linear Formula:
CH3(CH2)3CH(CH3)COOH
CAS Number:
4536-23-6
Molecular Weight:
130.18
FEMA Number:
3191
Beilstein:
1721227
EC Number:
224-883-9
Council of Europe no.:
582
MDL number:
MFCD00002674
UNSPSC Code:
12164502
PubChem Substance ID:
24901542
Flavis number:
8.035
NACRES:
NA.21
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

₩207,162

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biological source

synthetic

Quality Level

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.[1]

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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SYNPLE-BT032

Reagent-cartridge Biotin tag-PEG2-COOTfp

Sigma-Aldrich

SYNPLE-BT022

Reagent-cartridge Biotin tag-PEG2-a-COOTfp

Sigma-Aldrich

SYNPLE-BT033

Reagent-cartridge Biotin tag-PEG3-COOTfp

Sigma-Aldrich

SYNPLE-BT023

Reagent-cartridge Biotin tag-PEG3-a-COOTfp

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

parameter

up to 0.1 mmol scale

parameter

up to 0.1 mmol scale

parameter

up to 0.1 mmol scale

parameter

up to 0.1 mmol scale

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Pictograms

FlameCorrosion
GHS02,GHS05

Signal Word

Danger

Hazard Statements

H226,H314

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

134.6 °F - closed cup

Flash Point(C)

57 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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    Certificates of Analysis (COA)

    Lot/Batch Number
    SHBN2500
    SHBN2498
    SHBM6569
    SHBL9412
    SHBL3845

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