Methyl 3,4-dimethylbenzoate

HCID 520902CAS 38404-42-1

기본 정보

표준 SMILES: COC(=O)c1ccc(C)c(C)c1
InChIKey: PTSSKYUSCIALKU-UHFFFAOYSA-N
분자식: C10H12O2
평균 분자량: 164.2 g/mol
단동위원소 질량: 164.08372962

이름 및 식별자

우선 이름: Methyl 3,4-dimethylbenzoate
IUPAC: methyl 3,4-dimethylbenzoate
영어명: Methyl 3,4-dimethylbenzoate
분자식: C10H12O2
분자량: 164.2

이름 및 동의어

Methyl 3,4-dimethylbenzoateDTXSID10334489Benzoic acid, 3,4-dimethyl-, methyl esterRefChem:814656DTXCID20285579640-258-7919-860-138404-42-1MFCD002198613,4-Dimethylbenzoic acid methyl esterMethyl 3,4-dimethylbenzoate #AB7513

이름 더 보기

BUTTPARK 95\04-17RARECHEM AL BF 02534-(Methoxycarbonyl)-o-xyleneMethyl 3,4-dimethylbenzoate ,98%

AKOS002392966FS-2595SY018424methyl 3,4-dimethyl benzoateAMY24773SCHEMBL35783orb3030371SCHEMBL30029511

데이터베이스 식별자

CAS: 38404-42-1
PubChem CID: 520902
DTXSID: DTXSID10334489
EC Number: 640-258-7、919-860-1
Nikkaji: J45.123A

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 165

물리화학적 성질

녹는점: 35 · 35-37℃
끓는 점: 244.2 · 244.2±9.0 °C(Predicted)
밀도: 1.027 · 1.027±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
수용성: 물에 불용성.
NIST: 3 · 3,4-(CH3)3-C6H3-CO2CH3(38404-42-1)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.