2-(3,4-Dimethyl-β-oxophenethyl)benzoic acid

Modify Date: 2025-08-26 15:02:07

2-(3,4-Dimethyl-β-oxophenethyl)benzoic acid Structure
2-(3,4-Dimethyl-β-oxophenethyl)benzoic acid structure
Common Name 2-(3,4-Dimethyl-β-oxophenethyl)benzoic acid
CAS Number 50439-02-6 Molecular Weight 268.30700
Density 1.183g/cm3 Boiling Point 462.6ºC at 760 mmHg
Molecular Formula C17H16O3 Melting Point N/A
MSDS N/A Flash Point 247.7ºC

 Names

Name 2-[2-(3,4-dimethylphenyl)-2-oxoethyl]benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.183g/cm3
Boiling Point 462.6ºC at 760 mmHg
Molecular Formula C17H16O3
Molecular Weight 268.30700
Flash Point 247.7ºC
Exact Mass 268.11000
PSA 54.37000
LogP 3.42700
Index of Refraction 1.597
InChIKey ZOOUBGRVRUUFQX-UHFFFAOYSA-N
SMILES Cc1ccc(C(=O)Cc2ccccc2C(=O)O)cc1C

 Safety Information

HS Code 2918300090

 Synthetic Route

~%

2-(3,4-Dimethyl-β-oxophenethyl)benzoic acid Structure

2-(3,4-Dimethyl...

CAS#:50439-02-6

Literature: Legrand,L.; Lozach,N. Bulletin de la Societe Chimique de France, 1964 , p. 1787 - 1793

 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

F 1272
3,4-Dimethyldesoxybenzoin-2'-carbonsaeure
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