CAS 60037-43-6 Benzeneethanol, 4-(acetyloxy)- (HCID 586676)

Substructure search Find similar structures

Basic information

CAS: 60037-43-6
Standard SMILES: CC(=O)Oc1ccc(CCO)cc1
InChIKey: ZTXTZJHRRIQLRH-UHFFFAOYSA-N
Molecular formula: C10H12O3
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.07864424

Names & identifiers

Preferred name: Benzeneethanol, 4-(acetyloxy)-
IUPAC: [4-(2-hydroxyethyl)phenyl] acetate
English name: Acetic acid 4-(2-hydroxyethyl)phenyl ester
Molecular weight: 0

Names & synonyms

60037-43-6Benzeneethanol, 4-(acetyloxy)-DTXSID70343012RefChem:324680DTXCID90294092ZTXTZJHRRIQLRH-UHFFFAOYSA-N4-(2-Hydroxyethyl)phenyl acetate[4-(2-hydroxyethyl)phenyl] acetate2-(4-Acetoxyphenyl)ethanolAcetic acid 4-(2-hydroxyethyl)phenyl ester2-(4-methylcarbonyloxyphenyl)-1-ethanol4-(2-Hydroxyethyl)phenyl Acetate; 4-(Acetyloxy)benzeneethanol

Show more names

4-Acetoxybenzeneethanol4-(Acetyloxy)benzeneethanol

2-p-acetoxyphenylethanol4-Acetoxyphenethyl alcoholSCHEMBL66621994-(2-Hydroxyethyl)phenylacetate4-(2-Hydroxyethyl)phenyl acetate #MFCD18975154DB-301870H51223

Database identifiers

CAS: 60037-43-6
PubChem CID: 586676
DTXSID: DTXSID70343012
Nikkaji: J145.648B

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 160

Physicochemical properties

storage temp.: Room Temperature
solubility: Dichloromethane; Diethyl Ether
form: Clear Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses2-(4-Acetoxyphenyl)ethanol is an intermediate in synthesizing Oleocanthal (O524540). It is a compound of olive oil with potential use as anti-inflammatory and chemotherapeutic agents.