Ethyl 4-acetylbenzoate

HCID 600911CAS 38430-55-6

기본 정보

표준 SMILES: CCOC(=O)c1ccc(C(C)=O)cc1
InChIKey: GLOAPLPTWAXAIG-UHFFFAOYSA-N
분자식: C11H12O3
평균 분자량: 192.21 g/mol
단동위원소 질량: 192.07864424

이름 및 식별자

우선 이름: Ethyl 4-acetylbenzoate
IUPAC: ethyl 4-acetylbenzoate
영어명: ETHYL 4-ACETYLBENZOATE
분자식: C11H12O3
분자량: 192.21

이름 및 동의어

Ethyl 4-acetylbenzoate38430-55-6DTXSID90344980RefChem:138746DTXCID70296054GLOAPLPTWAXAIG-UHFFFAOYSA-NMFCD000132414-Acetylbenzoic acid ethyl esterBenzoic acid, 4-acetyl-, ethyl ester4-Acetyl-benzoic acid ethyl esterSCHEMBL54211AC-7937

이름 더 보기

RARECHEM AL BI 0879Ethyl4-acetylbenzoatETHYL P-ACETYLBENZOATEethyle4-acetylbenzoateEthyl 4-acetylbenzoate,99%4'-(Ethoxycarbonyl)acetophenoneBenzoic acid,4-acetyl-, ethyl ester

Q63393378AMY332p-Acetylbenzoic acid ethyl ester4-Acetylbenzoic Acid Ethyl Ester; p-Acetylbenzoic Acid Ethyl Ester; 4-Acetylbenzoic Acid Ethyl Ester; 4-Ethoxycarbonylacetophenone; Ethyl 4-Acetylbenzoate; Ethyl p-AcetylbenzoateEthyl 4-acetylbenzateethyl 4-acetyl benzoateethyl 4-acetyl-benzoateEthyl 4-acetylbenzoate, 99%

데이터베이스 식별자

CAS: 38430-55-6
PubChem CID: 600911
DTXSID: DTXSID90344980
EC Number: 639-831-4
Nikkaji: J149.459G

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 215

물리화학적 성질

녹는점: 55 · 55-57 °C(lit.)
끓는 점: 310 · 310.0±25.0 °C(Predicted)
밀도: 1.096 · 1.096±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 결정성 분말
색상: 흰색에서 베이지색
InChI: 1S/C11H12O3/c1-3-14-11(13)10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3
InChIKey: GLOAPLPTWAXAIG-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(cc1)C(C)=O

화학적 성질

White to beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.

Not Classified

Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 29189990
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Ethyl 4-acetylbenzoate is used as a reagent to synthesize pyrazoles (e.g. 1H-Pyrazole [P842195]). Ethyl 4-acetylbenzoate is also used as a reagent to synthesize chiral hydrazines (e.g. (S)-[2-(Benzyloxy)propylidene]hydrazinecarboxaldehyde [B288000]) from the catalytic enantioselective hydrogenation of N-alkoxycarbonyl hydrazones.

상·하류 제품 정보

상류 원료

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

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