CAS Registry Number: 5325-04-2

Name:

Ethanone, 1-​(4-​hydroxy-​3,​5-​dimethylphenyl)​-
Acetophenone, 4'-​hydroxy-​3',​5'-​dimethyl- (6CI,​7CI,​8CI); 1-​(4-​Hydroxy-​3,​5-​dimethylphenyl)​ethanone; 3',​5'-​Dimethyl-​4'-​hydroxyacetophenone; 4-​Acetyl-​2,​6-​dimethylphenol; 4'-​Hydroxy-​3',​5'-​dimethylacetophenone; NSC 109 

Chemical Formula: C10H12O2
Exact Mass: 164.08
Molecular Weight: 164.20
m/z: 164.08 (100.0%), 165.09 (11.0%)

InChI: InChI=1S/C10H12O2/c1-6-4-9(8(3)11)5-7(2)10(6)12/h4-5,12H,1-3H3
InChIKey: MUWPKXVVEOGKNO-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=CC(=C1O)C)C(=O)C

Specification

98%

1. (1) Baltzly, Richard; Journal of the American Chemical Society 1955, V77, P2522-33 CAPLUS
2. (2) Goldstein, Stephen L.; Journal of Organic Chemistry 1984, V49(9), P1613-20 CAPLUS