3,4-Dimethoxytoluene (HCID 68126)

개요

structure given in first source

이름 및 식별자

우선 이름: 3,4-Dimethoxytoluene
IUPAC: 1,2-dimethoxy-4-methylbenzene
영어명: 3,4-Dimethoxytoluene
분자식: C9H12O2
분자량: 152.19

이름 및 동의어

3,4-Dimethoxytoluene494-99-51,2-Dimethoxy-4-methylbenzeneHomoveratrole4-MethylveratroleBenzene, 1,2-dimethoxy-4-methyl-4-Methylveratrol4-Methyl-1,2-dimethoxybenzeneToluene, 3,4-dimethoxy-349X0G2SSFNSC-7378DTXSID8060088

이름 더 보기

3,4-DimethoxytoL3,4-Dimethoxytoluene 96%3,4-Dimethoxytoluene,98%3,4-Dimethoxytoluene >

RefChem:91191DTXCID3040691207-796-0MFCD00016651Veratrole, 4-methyl-3,4-dimethoxy-tolueneNSC 7378CHEMBL273904

데이터베이스 식별자

CAS: 494-99-5
PubChem CID: 68126
DTXSID: DTXSID8060088
ChEMBL: CHEMBL273904
UNII: 349X0G2SSF
EC Number: 207-796-0
Nikkaji: J5.504B

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 114

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Ethers, Other

SpringerMaterials PropertiesOptical coefficient

Physical Description · 2건

Solid; mp = 22-23 deg C; [Sigma-Aldrich MSDS]

Liquid

물리화학적 성질

녹는점: 22 · 22-23 °C (lit.)
끓는 점: 133 · 133-135 °C/50 mmHg (lit.)
밀도: 1.051 g/mL · 1.051 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.528(lit.)
인화점: 185 °F · 185 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
수용성: 불용성
BRN: 2045328 · 2045328
InChI: 1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
InChIKey: GYPMBQZAVBFUIZ-UHFFFAOYSA-N
SMILES: COc1ccc(C)cc1OC
LogP: 2.176 · 2.176 (est)
NIST: 1 · Benzene, 1,2-dimethoxy-4-methyl-(494-99-5)
EPA: 1 · Benzene, 1,2-dimethoxy-4-methyl- (494-99-5)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 69% (89 of 129) of all reports.

Warning

H315 (31%): 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 129 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Benzene, 1,2-dimethoxy-4-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Methoxy-4-methylbenzene.

Hazard Classes and CategoriesSkin Irrit. 2 (31%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,2-dimethoxy-4-methyl-: INACTIVE

응용 분야 · 2건

용도3,4-Dimethoxytoluene was used as an internal standard in HPLC quantifications.

일반 설명3,4-Dimethoxytoluene is the main component of essential oil isolated from Phoenix dactylifera L. It was selectively oxidized to the corresponding 1,4-benzoquinones in the presence of hydrogen peroxide/methyltrioxorhenium in 1-butyl-3-methylimidazolium tetrafluoroborate.

상·하류 제품 정보

상류 원료

Benzene, 1,2-dimethoxy-4-[(2-methoxyphenoxy)methyl]-3-브로모-4-메톡시톨루엔 베라트릴알코올 3,4-디메톡시벤즈알데히드 4-Methylcatechol 메틸히드로퀴논

하류 제품

1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)ethanone Methyl ether 2,3-디메톡시-5-메틸-p-벤조퀴논 1-브로모-4,5-다이메톡시-2-니트로벤젠 4,5-디메톡시-2-니트로톨루엔 벤젠,1,1'-(1,2-에탄디일)비스[3,4-디메톡시-3,4-Dimethoxyphenylacetone 2-METHOXY-5-METHYLPHENOL

공급사50 곳

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

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

연결된 노트

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3,4-Dimethoxytoluene

기본 정보

개요