Benzeneacetic acid, 1,3-dimethylbutyl ester

Modify Date: 2025-09-02 13:21:52

Benzeneacetic acid, 1,3-dimethylbutyl ester Structure
Benzeneacetic acid, 1,3-dimethylbutyl ester structure
Common Name Benzeneacetic acid, 1,3-dimethylbutyl ester
CAS Number 5421-18-1 Molecular Weight 220.30700
Density 0.976g/cm3 Boiling Point 287.2ºC at 760 mmHg
Molecular Formula C14H20O2 Melting Point N/A
MSDS N/A Flash Point 101.6ºC

 Names

Name 4-methylpentan-2-yl 2-phenylacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.976g/cm3
Boiling Point 287.2ºC at 760 mmHg
Molecular Formula C14H20O2
Molecular Weight 220.30700
Flash Point 101.6ºC
Exact Mass 220.14600
PSA 26.30000
LogP 3.20690
Index of Refraction 1.49
InChIKey POXZFBWKHWBHAR-UHFFFAOYSA-N
SMILES CC(C)CC(C)OC(=O)Cc1ccccc1

 Safety Information

HS Code 2916399090

 Synthetic Route

~%

Benzeneacetic acid, 1,3-dimethylbutyl ester Structure

Benzeneacetic a...

CAS#:5421-18-1

Literature: Funcke et al. Arzneimittel Forschung, 1954 , vol. 4, p. 492

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

4-methylpentan-2-yl phenylacetate
phenyl-acetic acid-(1,3-dimethyl-butyl ester)
Phenyl-essigsaeure-(1,3-dimethyl-butylester)
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