CAS 937-41-7 Phenyl acrylate (HCID 61242)

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Basic information

CAS: 937-41-7
Standard SMILES: C=CC(=O)Oc1ccccc1
InChIKey: WRAQQYDMVSCOTE-UHFFFAOYSA-N
Molecular formula: C9H8O2
Average molar mass: 148.16 g/mol
Monoisotopic mass: 148.0524295

Names & identifiers

Preferred name: Phenyl acrylate
IUPAC: phenyl prop-2-enoate
English name: Phenyl Acrylate
Molecular formula: C9H8O2
Molecular weight: 148.16

Names & synonyms

Phenyl acrylate2-PROPENOIC ACID, PHENYL ESTERN76Z7HU35PPHENYL 2-PROPENOATEEINECS 213-329-1DTXSID5061328AI3-15711RefChem:172944DTXCID6048882213-329-1WRAQQYDMVSCOTE-UHFFFAOYSA-N937-41-7

Show more names

Phenyl acrylatPhenyl propenoatePhenylacrylate,97%Phenyl acrylate, 98+%2-propenoicacid,phenylester

phenyl prop-2-enoateAcrylic Acid Phenyl Esterphenol acrylatephenyl-acrylateMFCD00048145Phenyl acrylate,min. 95%UNII-N76Z7HU35PSCHEMBL28916

Database identifiers

CAS: 937-41-7
PubChem CID: 61242
DTXSID: DTXSID5061328
UNII: N76Z7HU35P
EC Number: 213-329-1
Nikkaji: J298.528D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 146

Experimental & physicochemical properties

LogP1.94

Physicochemical properties

Boiling point: 89 · 89-90°C 12mm
Density: 1 · 1,076 g/cm3
refractive index: 1.521 · 1.5210
Flash point: 89 · 89-90°C/12mm
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Light yellow
Water Solubility: Insoluble in water.
BRN: 2041124 · 2041124
InChI: InChI=1S/C9H8O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey: WRAQQYDMVSCOTE-UHFFFAOYSA-N
SMILES: C(OC1=CC=CC=C1)(=O)C=C
FDA UNII: 76 Z7HU35P · N76Z7HU35P
EPA Substance Registry System

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.