Butanoic acid, 3-Methyl-, 1-Methylbutyl ester

Modify Date: 2025-11-30 17:16:58

Butanoic acid, 3-Methyl-, 1-Methylbutyl ester structure	Common Name	Butanoic acid, 3-Methyl-, 1-Methylbutyl ester
	CAS Number	117421-34-8	Molecular Weight	172.26500
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₀H₂₀O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	pentan-2-yl 3-methylbutanoate
Synonym	More Synonyms

Molecular Formula	C₁₀H₂₀O₂
Molecular Weight	172.26500
Exact Mass	172.14600
PSA	26.30000
LogP	2.76430
InChIKey	DUJBVANUBSYWGF-UHFFFAOYSA-N
SMILES	CCCC(C)OC(=O)CC(C)C

3-Methylbutanoi...

CAS#:503-74-2

2-Methylbutan-1-ol

CAS#:137-32-6

~47%

Butanoic acid, ...

CAS#:117421-34-8

Literature: Divakar, Soundar Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002 , vol. 41, # 9 p. 1919 - 1922

Precursor 2
CAS#:503-74-2 3-Methylbutanoi... CAS#:137-32-6 2-Methylbutan-1-ol
DownStream 0

2-Pentyl 3-methylbutanoate

2-Pentanol,3-methylbutanoate

sec-amyl isovalerate

Butanoic acid,3-methyl-,1-methylbutyl ester

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Names