メタクリル酸2-フェニルエチル

2-Phenylethyl methacrylate

HCID 77260CAS 3683-12-3

部分構造検索類似構造を探す

基本情報

標準SMILES: C=C(C)C(=O)OCCc1ccccc1
InChIKey: ILZXXGLGJZQLTR-UHFFFAOYSA-N
分子式: C12H14O2
平均分子量: 190.24 g/mol
単同位体質量: 190.09937969

名称と識別子

優先名称: 2-Phenylethyl methacrylate
IUPAC: 2-phenylethyl 2-methylprop-2-enoate
現地名: メタクリル酸2-フェニルエチル
英語名: 2-PHENYLETHYL METHACRYLATE
分子式: C12H14O2
分子量: 190.24

名称と別名

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

名称をさらに表示

2-フェニルエチルメタクリレートメタクリル酸フェネチル2-メチルプロペン酸2-フェニルエチルメタクリル酸2-フェニルエチル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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 14
形式電荷: 0
複雑度: 202

物理化学的性質

融点: 119 · 119~120℃/11mm
沸点: 119 · 119-120°C 11mm
比重(密度): 0 · 0,976 g/cm3
屈折率: 1.497 · 1.4970 (estimate)
闪点: 158 ℃ · 158℃
外見: clear liquid
色: Colorless to Light yellow
化粧品成分の機能: 香料
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 データベース: 3683 · 3683-12-3
EPAの化学物質情報: 2 · 2-Phenylethyl methacrylate (3683-12-3)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

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

化学と産業

用途と製造

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

応用分野 · 1 件

使用2-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.