Methyl p-tolylacetate

HCID 90265CAS 23786-13-2

기본 정보

표준 SMILES: COC(=O)Cc1ccc(C)cc1
InChIKey: LSAGWGNECLEVPE-UHFFFAOYSA-N
분자식: C10H12O2
평균 분자량: 164.2 g/mol
단동위원소 질량: 164.08372962

이름 및 식별자

우선 이름: Methyl p-tolylacetate
IUPAC: methyl 2-(4-methylphenyl)acetate
영어명: Methyl 4-methylphenylacetate
분자식: C10H12O2
분자량: 164.2

이름 및 동의어

23786-13-2Methyl p-tolylacetateMethyl 4-methylphenylacetatemethyl 2-(4-methylphenyl)acetatep-Tolylacetic Acid Methyl EsterS9AO74KS0MAI3-35904Benzeneacetic acid, 4-methyl-, methyl esterEINECS 245-885-6DTXSID20178472RefChem:818013DTXCID50100963

이름 더 보기

ASISCHEM D13370Methylp-Tolylacetate>P-methylphenylmethyl acetateMethyl p-methylphenylacetate

245-885-6Methyl 2-(p-tolyl)acetatemethylp-tolylacetateMFCD00056243p-Methylphenylacetic acid methyl ester4-Methylphenylacetic acid methyl esterMethyl (4-methylphenyl)acetate428482-12-6

데이터베이스 식별자

CAS: 23786-13-2
PubChem CID: 90265
DTXSID: DTXSID20178472
UNII: S9AO74KS0M
EC Number: 245-885-6
Nikkaji: J45.127D

물성

구조 계산 물성

XLogP: 2.2
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: 146

물리화학적 성질

녹는점: 60 · 60-60.5 °C
끓는 점: 118 °C · 118 °C (13 mmHg)
밀도: 1.04 · 1.04
굴절률: 1.5035 · 1.5035-1.5055
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
InChI: 1S/C10H12O2/c1-8-3-5-9(6-4-8)7-10(11)12-2/h3-6H,7H2,1-2H3
InChIKey: LSAGWGNECLEVPE-UHFFFAOYSA-N
SMILES: COC(=O)Cc1ccc(C)cc1

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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)

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