p-Acetylphenyl acetate

HCID 83063CAS 13031-43-1

기본 정보

표준 SMILES: CC(=O)Oc1ccc(C(C)=O)cc1
InChIKey: SMIOEQSLJNNKQF-UHFFFAOYSA-N
분자식: C10H10O3
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.06299418

개요

4-acetoxy acetophenone is a methyl ketone that is acetophenone substituted by an acetoxy group at position 4. It is a member of phenyl acetates and a member of acetophenones. It is functionally related to an acetophenone.

이름 및 식별자

우선 이름: p-Acetylphenyl acetate
IUPAC: (4-acetylphenyl) acetate
영어명: 4-Acetoxyacetophenone
분자식: C10H10O3
분자량: 178.18

이름 및 동의어

4-Acetylphenyl acetate4'-Acetoxyacetophenone4-Acetoxyacetophenonep-Acetylphenyl acetate(4-acetylphenyl) acetateEthanone, 1-[4-(acetyloxy)phenyl]-Ethanone, 1-(4-(acetyloxy)phenyl)-DTXSID9044534EO1XK390JFNSC-41974EINECS 235-894-3NSC 41974

이름 더 보기

AI310544AI3 10544AKOS BBS-00003231TIMTEC-BB SBB0057804-ACETYLPHENYL ACETA

AI3-10544DTXCID7024534ACETOPHENONE, 4'-HYDROXY-, ACETATERefChem:857969235-894-313031-43-1p-Acetoxyacetophenone4-acetoxy acetophenone

데이터베이스 식별자

CAS: 13031-43-1
PubChem CID: 83063
DTXSID: DTXSID9044534
ChEMBL: CHEMBL2271145
ChEBI: CHEBI:86558
UNII: EO1XK390JF
EC Number: 235-894-3
Nikkaji: J270.068I

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 202

실험 및 물리화학적 성질

LogP1.29

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionLiquid

물리화학적 성질

녹는점: 51 · 51-55 °C
끓는 점: 165 · 165-170°C 14mm
밀도: 1.1601 · 1.1601 (rough estimate)
굴절률: 1.537 · 1.5370 (estimate)
인화점: 165 · 165-170°C/14mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
색상: White to Orange to Green
수용성: 물에 약간 용해됨(4450 mg/L).
BRN: 2093080 · 2093080
NIST: 4 · 4-CH3COO-C6H4-COCH3(13031-43-1)
EPA: 1 · Ethanone, 1-[4-(acetyloxy)phenyl]- (13031-43-1)

화학적 성질

LIGHT BEIGE CRYSTALLINE POWDER

안전 및 규제

유해성 정보

Regulatory Information · 2건

Ethanone, 1-[4-(acetyloxy)phenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-[4-(acetyloxy)phenyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

안전 데이터

tsca: TSCA listed
HS 번호: 29145090
safety_code: 24/25-22

화학 및 산업

용도 및 제조

U.S. Production2023: 1,284,983 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

Ethanone, 1-[4-(acetyloxy)phenyl]-: ACTIVE

응용 분야

용도4'-Acetoxyacetophenone it can react with ethane-1,2-diol to get 2-(4-acetoxyphenyl)-2-methyl-1,3-dioxolane with yield is 67 %.

제조 방법

Preparation by acetylation of 4-hydroxyacetophenone with acetic anhydride, in the presence of aluminium triflate for 10 min at r.t. (98%); in the presence of sodium acetate.

상·하류 제품 정보

상류 원료

Silane, (1,1-dimethylethyl)dimethylphenoxy-4-Ethylphenylacetone 4-에틸페닐아세테이트 아세트산4-에틸페닐에스테르 4'-Benzyloxyacetophenone 아세틸브로마이드 4'-히드록시아세토페논 아세틸 염화물 아세토나이트릴 초산비닐모노머 무수초산

하류 제품

4-에텐일페놀 아세트산 Ethanone, 1-[4-(acetyloxy)phenyl]-2-bromo-트리플루오로에탄올 히드로퀴논 디아세테이트 4-(prop-1-en-2-yl)phenyl acetate

공급사50 곳

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

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

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海淖沁生物科技有限公司400-1125320 13774248860 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

추가 설명

정의ChEBI: A methyl ketone that is acetophenone substituted by an acetoxy group at position 4.

연결된 노트

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