Phenethylmethacrylat

2-Phenylethyl methacrylate

HCID 77260CAS 3683-12-3

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Grundinformationen

Standard-SMILES: C=C(C)C(=O)OCCc1ccccc1
InChIKey: ILZXXGLGJZQLTR-UHFFFAOYSA-N
Summenformel: C12H14O2
Durchschnittliche Molmasse: 190,24 g/mol
Monoisotopische Masse: 190,09937969

Namen und Bezeichner

Bevorzugter Name: 2-Phenylethyl methacrylate
IUPAC: 2-phenylethyl 2-methylprop-2-enoate
Lokaler Name: Phenethylmethacrylat
Englischer Name: 2-PHENYLETHYL METHACRYLATE
Summenformel: C12H14O2
Molmasse: 190.24

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 14
Formalladung: 0
Komplexität: 202

Physikochemische Eigenschaften

Schmelzpunkt: 119 · 119~120℃/11mm
Siedepunkt: 119 · 119-120°C 11mm
Dichte: 0 · 0,976 g/cm3
Brechungsindex: 1.497 · 1.4970 (estimate)
Flammpunkt: 158 ℃ · 158℃
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Kosmetik-Inhaltsstoffe Funktionen: 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 Datenbank: 3683 · 3683-12-3
EPA chemische Informationen: 2 · 2-Phenylethyl methacrylate (3683-12-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2916.14.2050
risk_code: 36/37/38
Toxizität: rabbit,LDLo,skin,5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 105S, 1992.
safety_code: 26-36/37/39

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

Verwenden2-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.