Benzenepropanoic acid, a-(3-methylbutyl)-b-oxo-, ethyl ester

Modify Date: 2025-09-20 09:35:17

Benzenepropanoic acid, a-(3-methylbutyl)-b-oxo-, ethyl ester Structure
Benzenepropanoic acid, a-(3-methylbutyl)-b-oxo-, ethyl ester structure
Common Name Benzenepropanoic acid, a-(3-methylbutyl)-b-oxo-, ethyl ester
CAS Number 6305-62-0 Molecular Weight 262.34400
Density 1.019g/cm3 Boiling Point 340ºC at 760 mmHg
Molecular Formula C16H22O3 Melting Point N/A
MSDS N/A Flash Point 145.1ºC

 Names

Name ethyl 2-benzoyl-5-methylhexanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.019g/cm3
Boiling Point 340ºC at 760 mmHg
Molecular Formula C16H22O3
Molecular Weight 262.34400
Flash Point 145.1ºC
Exact Mass 262.15700
PSA 43.37000
LogP 3.48480
Index of Refraction 1.495
InChIKey NEGHEQTZPWCFSR-UHFFFAOYSA-N
SMILES CCOC(=O)C(CCC(C)C)C(=O)c1ccccc1

 Safety Information

HS Code 2918300090

 Synthetic Route

~%

Benzenepropanoic acid, a-(3-methylbutyl)-b-oxo-, ethyl ester Structure

Benzenepropanoi...

CAS#:6305-62-0

Literature: Abrams; Kipping Journal of the Chemical Society, 1936 , p. 1480

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

ETHYL 2-BENZOYL-5-METHYL-HEXANOATE
2-benzoyl-5-methyl-hexanoic acid ethyl ester
2-Benzoyl-5-methyl-hexansaeure-aethylester
(+-)-3-Oxo-2-isopentyl-3-phenyl-propionsaeure-aethylester
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