2-メチル-2-フェニルプロパン酸メチル

Methyl 2-methyl-2-phenylpropanoate

HCID 143498

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 57625-74-8
標準SMILES: COC(=O)C(C)(C)c1ccccc1
InChIKey: WITYUUTUSPKOAB-UHFFFAOYSA-N
分子式: C11H14O2
平均分子量: 178.23 g/mol
単同位体質量: 178.09937969

名称と識別子

優先名称: Methyl 2-methyl-2-phenylpropanoate
IUPAC: methyl 2-methyl-2-phenylpropanoate
現地名: 2-メチル-2-フェニルプロパン酸メチル
英語名: Methyl 2,2-dimethylphenylacetate
分子式: C11H14O2
分子量: 178.23

名称と別名

methyl 2-methyl-2-phenylpropanoateRefChem:814526805-721-157625-74-8METHYL 2,2-DIMETHYLPHENYLACETATEMFCD01846451methyl 2-(2,3-dimethylphenyl)acetatemethyl 2-methyl-2-phenyl-propanoateSCHEMBL7284712-methyl-2-phenyl-propionic acid methyl esterMethyl-2-methyl-2 phenyl-propanoateMethyl 2,2-dimethyl-2-phenylacetate

名称をさらに表示

Methyl dimethylbenzeneacetatea,a-DimethylphenylmethylacetateMethyl 2-Methyl-PhenylpropionateMethyl α,α-dimethylbenzeneacetateMethyl 2,2-dimethylbenzoylacetatemethyl 2-methyl-2-phenylpropionateMethyl 2,2-dimethylphenylacetate, >=98%

CS-W007095Benzeneacetic acid, alpha,alpha-dimethyl-, methyl esterAC-15244EN300-247059Ethyl2,2-dimethylphenylacetatealpha,alpha-d2-Methyl-2-phenylpropanoic acid methyl esterEC 805-721-1

データベース識別子

CAS: 57625-74-8
PubChem CID: 143498
DTXSID: DTXSID60206288
EC Number: 805-721-1
Nikkaji: J359.995G

物性

構造計算による物性

XLogP: 2.6
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: 3
重原子数: 13
形式電荷: 0
複雑度: 179

物理化学的性質

沸点: 70 °C · 70 °C(Press: 1.5 Torr)
比重(密度): 1.012 · 1.012±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）
外見: 油
色: 無色
InChI: InChI=1S/C11H14O2/c1-11(2,10(12)13-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey: WITYUUTUSPKOAB-UHFFFAOYSA-N
SMILES: C(C1C=CC=CC=1)(C)(C)C(=O)OC

安全と法規制

GHS分類

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.