Ethyl p-tolylacetate

HCID 84175CAS 14062-19-2

기본 정보

표준 SMILES: CCOC(=O)Cc1ccc(C)cc1
InChIKey: BTRGZBIXPLFVNK-UHFFFAOYSA-N
분자식: C11H14O2
평균 분자량: 178.23 g/mol
단동위원소 질량: 178.09937969

이름 및 식별자

우선 이름: Ethyl p-tolylacetate
IUPAC: ethyl 2-(4-methylphenyl)acetate
영어명: ETHYL P-TOLYLACETATE
분자식: C11H14O2
분자량: 178.23

이름 및 동의어

Ethyl p-tolylacetateEINECS 237-904-1DTXSID20161445NSC 46878RefChem:596363DTXCID3083936237-904-114062-19-2Ethyl 4-MethylphenylacetateEthyl 2-(p-tolyl)acetateethyl 2-(4-methylphenyl)acetateBenzeneacetic acid, 4-methyl-, ethyl ester

이름 더 보기

P-tolyacetateETHYL 4-TOLYL ACETATEEthyl p-tolylacetate 98%Ethyl p-tolylacetate, 97+%Ethyl p-tolylacetate, 98+%

Ethyl (4-methylphenyl)acetateMFCD000091814-Methylphenylacetic acid ethyl esterp-Tolylacetic acid ethyl esterEthyl-p-tolylacetateEthyl-4-tolylacetateEthyl p-methylphenylacetateNSC-46878

데이터베이스 식별자

CAS: 14062-19-2
PubChem CID: 84175
DTXSID: DTXSID20161445
UNII: G6T6X25NBN
EC Number: 237-904-1
Nikkaji: J209.053H

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: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 157

물리화학적 성질

녹는점: 62 · 62-63
끓는 점: 116 · 116-118 °C13 mm Hg(lit.)
밀도: 1.008 g/mL · 1.008 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.496(lit.)
인화점: 229 °F · 229 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 2045927 · 2045927
InChI: 1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey: BTRGZBIXPLFVNK-UHFFFAOYSA-N
SMILES: CCOC(=O)Cc1ccc(C)cc1

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Ethyl p-tolylacetate was used in preparation of:ethyl-substituted phenylpropioloylacetatesethyl 2-(4-bromomethylphenyl)propionate()-incrustoporin, antifungal agent