메틸O-톨릴아세테이트

Methyl 2-(2-methylphenyl)acetate

HCID 7021479

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40851-62-5
표준 SMILES: COC(=O)Cc1ccccc1C
InChIKey: BLEMRRXGTKTJGT-UHFFFAOYSA-N
분자식: C10H12O2
평균 분자량: 164.2 g/mol
단동위원소 질량: 164.08372962

이름 및 식별자

우선 이름: Methyl 2-(2-methylphenyl)acetate
IUPAC: methyl 2-(2-methylphenyl)acetate
현지명: 메틸O-톨릴아세테이트
영어명: METHYL O-TOLYLACETATE
분자식: C10H12O2
분자량: 164.2

이름 및 동의어

methyl 2-(2-methylphenyl)acetateRefChem:813281838-079-6Methyl o-tolylacetate40851-62-5Methyl 2-(o-tolyl)acetatemethyl 2-o-tolylacetateMFCD00082780methyl (2-methylphenyl)acetateBenzeneacetic acid, 2-methyl-, methyl ester2-Methyl-benzeneacetic acid methyl estermethyl 2-methylphenylacetate

이름 더 보기

메틸O-톨릴아세테이트Methyl 2-(o-tolyl)2-Methylphenyl-acetic acid methyl ester

methyl 2-methylphenyl-acetateSCHEMBL265432SCHEMBL3424982methyl (2-methyl phenyl)acetateSCHEMBL30522283DTXSID40427373BLEMRRXGTKTJGT-UHFFFAOYSA-NQBA85162

데이터베이스 식별자

CAS: 40851-62-5
PubChem CID: 7021479
DTXSID: DTXSID40427373
EC Number: 838-079-6
Nikkaji: J2.444.509G

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 154

물리화학적 성질

끓는 점: 70 · 70-71°C 1mm
밀도: 1.035 · 1.035±0.06 g/cm3(Predicted)
굴절률: 1.511 · 1.5110
인화점: 70 · 70-71°C/1mm
저장 조건: Store at room temperature
BRN: 2208739 · 2208739

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.