Benzoic acid, 4-(acetyloxy)- (HCID 16865)

개요

4-acetoxy benzoic acid is a member of the class of benzoic acids that is benzoic acid substituted by an acetoxy group at position 4. It is a member of phenyl acetates and a member of benzoic acids.

이름 및 식별자

우선 이름: Benzoic acid, 4-(acetyloxy)-
IUPAC: 4-acetyloxybenzoic acid
영어명: 4-Acetoxybenzoic acid
분자식: C9H8O4
분자량: 180.16

이름 및 동의어

4-ACETOXYBENZOIC ACID2345-34-8Benzoic acid, 4-(acetyloxy)-p-Acetoxybenzoic acidp-Acetyloxybenzoic acidp-Carboxyphenyl acetateBenzoic acid, p-hydroxy-, acetateAI3-20213NSC 11340EINECS 219-066-9RefChem:565908219-066-9

이름 더 보기

LR-674-acetyloxybenzoateRARECHEM AL BE 00824-Acetoxybenzoic aci4-Acetate-benzoic acid

4-(Acetyloxy)benzoic acid4-Carboxyphenyl acetate4-Acetoxy benzoic acidp-Hydroxybenzoic acid acetate4-acetyloxybenzoic acid4-AcetoxybenzoicacidMFCD000025404-Acetoxy-benzoic acid

데이터베이스 식별자

CAS: 2345-34-8
PubChem CID: 16865
DTXSID: DTXSID1062334
ChEMBL: CHEMBL131987
ChEBI: CHEBI:86560
UNII: 5L73XP7H9J
EC Number: 219-066-9
Nikkaji: J120.950G

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 204

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 190 · 190-194 °C (lit.)
끓는 점: 272.96 °C · 272.96°C (rough estimate)
밀도: 1.2933 · 1.2933 (rough estimate)
굴절률: 1.45 · 1.4500 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: almost transparency in Methanol
물리적 상태: powder to crystal
산도 계수 (pKa): 1 · pK1: 4.38 (25°C)
색상: 흰색에서 거의 흰색
BRN: 1871997 · 1871997
InChI: 1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey: GDBUZIKSJGRBJP-UHFFFAOYSA-N
SMILES: CC(=O)Oc1ccc(cc1)C(O)=O
NIST: 4 · Benzoic acid, 4-(acetyloxy)-(2345-34-8)
EPA: 4 · Benzoic acid, 4-(acetyloxy)- (2345-34-8)

화학적 성질

white crystalline powder

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Benzoic acid, 4-(acetyloxy)-

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29189900
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39
위험 등급: IRRITANT
기존화학 물질: KE-00132
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-(acetyloxy)-: ACTIVE

응용 분야

용도4-Acetoxybenzoic acid has been used in the preparation of poly(4-hydroxybenzoate).

일반 설명Kinetics of the bulk polymerization of 4-acetoxybenzoic acid has been investigated. Mono and submono layers of 4-acetoxybenzoic acid chemisorbed on oxidized aluminum has been studied by IR-absorption spectroscopy.

상·하류 제품 정보

상류 원료

아세트산파라토릴에스테르 P-크레졸

하류 제품

thermotropic liquid crystalline polymer 4-히드록시-N-(2-메틸페닐)벤즈아미드 4-옥시라닐메톡시-벤조산

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

추가 설명

정의ChEBI: 4-acetoxy benzoic acid is a member of the class of benzoic acids that is benzoic acid substituted by an acetoxy group at position 4. It is a member of benzoic acids and a member of phenyl acetates.