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


45-W319104-100G-K	100 g	$186.00 1/EAAdd To Favorites	Add To Favorites
45-W319104-1KG-K	1 kg	$0.00 1/EA CALL FOR PRICEAdd To Favorites	Add To Favorites
45-W319104-SAMPLE-K		$54.60 1/EAAdd To Favorites	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	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

Symbol	GHS02,GHS05
Signal word	Danger
Hazard statements	H226 - H314
Precautionary statements	P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
Hazard Codes	C
Risk Statements	34
Safety Statements	26-36/37/39-45
RIDADR	UN 3265 8 / PGII
WGK Germany	WGK 2
Flash Point(F)	134.6 °F
Flash Point(C)	57 °C

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