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CAS Number: 1208-64-6
3-(4-(tert-butyl)phenyl)propanoic acid

Structure

 3-(4-(tert-butyl)phenyl)propanoic acid
Name: 3-(4-(tert-butyl)phenyl)propanoic acid
Synonyms:
General Information
Product Number: 1208646

CAS Registry Number 1208-64-6
Name:
Benzenepropanoic acid, 4-?(1,?1-?dimethylethyl)?-
Hydrocinnamic acid, p-tert-butyl- (6CI,7CI,8CI)
(4-tert-Butylbenzyl)acetic acid
3-(4-tert-Butylphenyl)propanoic acid
3-(4-tert-Butylphenyl)propionic acid

 

Chemical Formula: C13H18O2
Exact Mass: 206.13
Molecular Weight: 206.28
m/z: 206.13 (100.0%), 207.13 (14.1%)

 

InChI:InChI=1S/C13H18O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-5,7-8H,6,9H2,1-3H3,(H,14,15)

InChI Key:BNJYANVQFVSYEK-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)CCC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 116-117 °C   (2)CAS
Melting Point 110-112 °C Solv: ligroine (8032-32-4) (3)CAS

Specification

98%
References
  1. (2) Tsatsas, Georges; Bulletin de la Societe Chimique de France 1964, (10), P2615-17 CAPLUS
  2. (3) Beets, Muus G. J.; US 2889367 1959 CAPLUS
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