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2-Methylhexanoic acid

ALDRICH/W319104 - ≥99%, FG

Synonym: 2-Methylcaproic acid

CAS Number: 4536-23-6
Empirical Formula (Hill Notation): C7H14O2
Molecular Weight: 130.18
EC Number: 224-883-9
MDL Number: MFCD00002674
Linear Formula: CH3(CH2)3CH(CH3)COOH
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-W319104-SAMPLE-K 1 each
 $58.00
1/EA		 Add To Favorites
45-W319104-100G-K 100 g
 $191.00
1/EA		 Add To Favorites
45-W319104-1KG-K 1 kg
 $903.00
1/EA		 Add To Favorites

 

agency follows IFRA guidelines
  meets purity specifications of JECFA
application(s) flavors and fragrances
assay ≥99%
biological source synthetic
bp 209-210 °C (lit.)
density 0.918 g/mL at 25 °C (lit.)
documentation see Safety & Documentation for available documents
food allergen no known allergens
fragrance allergen no known allergens
grade FG
  Fragrance grade
  Halal
  Kosher
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
organoleptic fatty; lard; oily; acidic
Quality Level 300 
  400 
refractive index n20/D 1.422 (lit.)
reg. compliance EU Regulation 1223/2009
  EU Regulation 1334/2008 & 178/2002
SMILES string CCCCC(C)C(O)=O
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.
Packaging: 1 kg in poly bottle
Packaging: 100 g in glass bottle
Purity ≥99%
bp 209-210 °C (lit.)
Density 0.918 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.422 (lit.)
FEMA Number 3191
UNSPSC 12164502

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