3,4-Dimethoxyphenyl methyl ketone (HCID 14328)

개요

Acetoveratrone is a member of the class of acetophenones that is acetophenone substituted by methoxy groups at positions 3' and 4' respectively. It is a member of acetophenones and a dimethoxybenzene.

이름 및 식별자

우선 이름: 3,4-Dimethoxyphenyl methyl ketone
IUPAC: 1-(3,4-dimethoxyphenyl)ethanone
영어명: 3,4-Dimethoxyacetophenone
분자식: C10H12O3
분자량: 180.2

이름 및 동의어

1131-62-01-(3,4-Dimethoxyphenyl)ethanone3',4'-DimethoxyacetophenoneAcetoveratrone3,4-DIMETHOXYACETOPHENONE1-(3,4-Dimethoxyphenyl)ethan-1-oneEthanone, 1-(3,4-dimethoxyphenyl)-3,4-Dimethoxyphenyl methyl ketone4-AcetylveratroleAcetophenone, 3',4'-dimethoxy-NSC 187085RV6436S8A

이름 더 보기

Dimethoxyacetophenone3,4-Dimethoxyacetophenon3,4-Dimethoxyacetoph1-(3,4-DIMETHOXYPHENYL)-ETHANONEKML-86KML-118

EINECS 214-468-03,4-dimethoxyphenylacetalNSC 16944NSC-16944NSC-18708AI3-11163DTXSID4061549CHEBI:86576

데이터베이스 식별자

CAS: 1131-62-0
PubChem CID: 14328
DTXSID: DTXSID4061549
ChEMBL: CHEMBL4218890
ChEBI: CHEBI:86576
UNII: 5RV6436S8A
EC Number: 214-468-0
Nikkaji: J12.495H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 179

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 47 · 47-54 °C(lit.)
끓는 점: 286 · 286-288 °C(lit.)
밀도: 1.1272 · 1.1272 (rough estimate)
굴절률: 1.5224 · 1.5224 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 뜨거운 물: 용해성
물리적 상태: 결정성 분말
색상: 노란색에서 베이지색
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 달콤한 우디 꽃
냄새 유형: 우디
수용성: 뜨거운 물에 용해됨
BRN: 781213 · 781213
InChI: 1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3
InChIKey: IQZLUWLMQNGTIW-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)C(C)=O
LogP: 1.822 · 1.822 (est)
NIST: 1 · Ethanone, 1-(3,4-dimethoxyphenyl)-(1131-62-0)
EPA: 1 · Ethanone, 1-(3,4-dimethoxyphenyl)- (1131-62-0)

화학적 성질

yellow to beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

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

유해성 정보

Regulatory InformationEthanone, 1-(3,4-dimethoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29145000
hazard_code: Xi
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1-(3,4-dimethoxyphenyl)-: INACTIVE

응용 분야

용도3',4'-Dimethoxyacetophenone is used as Catalytic agent; Petrochemical additive. It is also used in agrochemical, pharmaceutical and dyestuff field.

제조 방법

Obtained by reaction of dimethyl sulfate with acetoguaiacone in the presence of sodium hydroxide in ethanol, first at 50°, then at reflux for 1 h (78%).

상·하류 제품 정보

하류 제품

4-Aminoveratrole 1,2-다이메톡시-4-에틸벤젠 4-chloro-6,7-dimethoxyquinoline 2'-Hydroxy-3',4'-dimethoxyacetophenone 베라트릴글리세롤-베타-구아이야실에테르 2'-아미노-4',5'-디메톡시아세토페논 1-(4,5-디메톡시-2-니트로-페닐)-에타논 4-Methoxy-3-hydroxyacetophenone 2,6-Dimethoxyphenol 1,2-디메톡시벤젠

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]

上海宇之诚医药科技有限公司13361818591 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

추가 설명

정의ChEBI: A member of the class of acetophenones that is acetophenone substituted by methoxy groups at positions 3' and 4' respectively.

연결된 노트

불러오는 중…

3,4-Dimethoxyphenyl methyl ketone

기본 정보

개요