2-Phenylethyl methacrylate

HCID 77260

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Basic information

CAS: 3683-12-3
Standard SMILES: C=C(C)C(=O)OCCc1ccccc1
InChIKey: ILZXXGLGJZQLTR-UHFFFAOYSA-N
Molecular formula: C12H14O2
Average molar mass: 190.24 g/mol
Monoisotopic mass: 190.09937969

Names & identifiers

Preferred name: 2-Phenylethyl methacrylate
IUPAC: 2-phenylethyl 2-methylprop-2-enoate
English name: 2-PHENYLETHYL METHACRYLATE
Molecular formula: C12H14O2
Molecular weight: 190.24

Names & synonyms

2-Phenylethyl methacrylate3683-12-3Phenethyl methacrylateMethacrylic acid, phenethyl ester2-Propenoic acid, 2-methyl-, 2-phenylethyl ester5VLG348MDFDTXSID7063134RefChem:89078DTXCID8039243222-969-0ILZXXGLGJZQLTR-UHFFFAOYSA-N2-phenylethyl 2-methylprop-2-enoate

Show more names

PhenethylmethacrylatB-PHENYLETHYL METHACRYLATEbeta-phenylethylmethacrylate2-Phenylethyl 2-methylacrylatemethacrylicacid,phenethylesterMETHACRYLICACID,PHENYLETHYLESTER

2-Phenylethyl Methacrylate (stabilized with HQ)MFCD00038232beta-Phenylethyl methacrylatePhenylethyl methacrylatePhenylethyl 2-methyl-2-propenoateSCHEMBL42893AI3-36654.beta.-Phenylethyl methacrylate

Database identifiers

CAS: 3683-12-3
PubChem CID: 77260
DTXSID: DTXSID7063134
UNII: 5VLG348MDF
EC Number: 222-969-0
Nikkaji: J205.594E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 202

Physicochemical properties

Melting point: 119 · 119~120℃/11mm
Boiling point: 119 · 119-120°C 11mm
Density: 0 · 0,976 g/cm3
refractive index: 1.497 · 1.4970 (estimate)
Flash point: 158 ℃ · 158℃
form: clear liquid
color: Colorless to Light yellow
Viscosity: 3 cp · < 3cp (20C)
Cosmetics Ingredients Functions: PERFUMING
InChI: InChI=1S/C12H14O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChIKey: ILZXXGLGJZQLTR-UHFFFAOYSA-N
SMILES: C(OCCC1=CC=CC=C1)(=O)C(C)=C
LogP: 3.032 · 3.032 (est)
CAS DataBase Reference: 3683 · 3683-12-3
EWG's Food Scores: 1 · 1
FDA UNII: 5 VLG348MDF · 5VLG348MDF
EPA Substance Registry System: 2 · 2-Phenylethyl methacrylate (3683-12-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HS Code: 2916.14 · 2916.14.2050
Toxicity: 5 gm/kg · rabbit,LDLo,skin,5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 105S, 1992.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Aggregated GHS information provided per 92 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Propenoic acid, 2-methyl-, 2-phenylethyl ester

2-Propenoic acid, 2-methyl-, 2-phenylethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
hs_code: 2916.14.2050
Toxicity: rabbit,LDLo,skin,5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 105S, 1992.
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propenoic acid, 2-methyl-, 2-phenylethyl ester: ACTIVE

Applications · 1 item

Uses2-Phenylethyl methacrylate finds use in perfume compositions, including soap perfumeswhere it may lend warmth and pleasant “dried-leaf” notes to a Rose or an Oriental type fragrance. It blends well with the Methylionones, Cedarwood products, Jasmin materials, Sandalwood notes, etc. and it can be used in relatively large amounts.