메틸2,2-디메틸페닐아세테이트

Methyl 2-methyl-2-phenylpropanoate

HCID 143498CAS 57625-74-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C(C)(C)c1ccccc1
InChIKey: WITYUUTUSPKOAB-UHFFFAOYSA-N
분자식: C11H14O2
평균 분자량: 178.23 g/mol
단동위원소 질량: 178.09937969

이름 및 식별자

우선 이름: Methyl 2-methyl-2-phenylpropanoate
IUPAC: methyl 2-methyl-2-phenylpropanoate
현지명: 메틸2,2-디메틸페닐아세테이트
영어명: Methyl 2,2-dimethylphenylacetate
분자식: C11H14O2
분자량: 178.23

이름 및 동의어

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

이름 더 보기

메틸2,2-디메틸페닐아세테이트Methyl 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 179

물리화학적 성질

끓는 점: 70 °C · 70 °C(Press: 1.5 Torr)
밀도: 1.012 · 1.012±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색
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

안전 및 규제

GHS 분류

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.