CAS Registry Number: 84851-56-9

Name:

Benzoic acid, 4-​(1-​hydroxyethyl)​-​, methyl ester
Benzoic acid, p-​1-​hydroxyethyl-​, methyl ester (6CI); 4-​(1-​Hydroxyethyl)​benzoic Acid Methyl Ester; Methyl (±)​-​4-​(1-​hydroxyethyl)​benzoate; Methyl 4-​(1-​hydroxyethyl)​benzoate 

Deleted CAS Registry Numbers: 79322-​76-​2

Chemical Formula: C10H12O3
Exact Mass: 180.08
Molecular Weight: 180.20
m/z: 180.08 (100.0%), 181.08 (11.1%)
Elemental Analysis: C, 66.65; H, 6.71; O, 26.64

InChI: InChI=1S/C10H12O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7,11H,1-2H3
InChIKey: KAXLTAULVFFCNL-UHFFFAOYSA-N
Canonical SMILES : CC(C1=CC=C(C=C1)C(=O)OC)O

Specification

98%

1. (1) GB 636196 1950 CAPLUS
2. (2) Emerson, Wm. S.; Journal of the American Chemical Society 1946, V68, P674-6 CAPLUS
3. (3) Rahaim, Ronald J.; Organic Letters 2011, V13(4), P584-587 CAPLUS