디메톡시톨루엔

2,5-Dimethoxytoluene

HCID 90552CAS 24599-58-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(OC)c(C)c1
InChIKey: IQISOVKPFBLQIQ-UHFFFAOYSA-N
분자식: C9H12O2
평균 분자량: 152.19 g/mol
단동위원소 질량: 152.08372962

이름 및 식별자

우선 이름: 2,5-Dimethoxytoluene
IUPAC: 1,4-dimethoxy-2-methylbenzene
현지명: 디메톡시톨루엔
영어명: 2,5-Dimethoxytoluene
분자식: C9H12O2
분자량: 152.19

이름 및 동의어

2,5-Dimethoxytoluene1,4-Dimethoxy-2-methylbenzeneBenzene, 1,4-dimethoxy-2-methyl-Toluene, 2,5-dimethoxy-2-Methylhydroquinone dimethyl etherMethyl hydroquinone dimethyl esterQK260AXY6T2-methyl-1,4-dimethoxybenzeneEINECS 246-343-12-Methyl-1,4-bis(methyloxy)benzeneUNII-QK260AXY6TNSC 149950

이름 더 보기

2,5-다이메톡시톨루엔디메톡시톨루엔2,5-Dimethoxytoluene>2,5-Dimethoxytoluene,99%2,5-DIMETHOXYTOLUENE 99%2,5-Dimethoxytoluene, 98+%2,5-Dimethoxytoluene 98.5%2,5-Dimethoxytoluene, GC 99%

NSC-149950DTXSID5067005Methylhydroquinone, dimethyl ether1-METHYL-2,5-DIMETHOXYBENZENEMETHYLHYDROQUINONE DIMETHYL ETHERRefChem:82924DTXCID5037105246-343-1

데이터베이스 식별자

CAS: 24599-58-4
PubChem CID: 90552
DTXSID: DTXSID5067005
UNII: QK260AXY6T
EC Number: 246-343-1
Nikkaji: J32.091I

물성

구조 계산 물성

XLogP: 2.7
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

물리화학적 성질

녹는점: 19 · 19-21 °C
끓는 점: 218 · 218-220 °C/751 mmHg (lit.)
밀도: 1.049 g/mL · 1.049 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.522(lit.)
인화점: 215 °F · 215 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
수용성: 실질적으로 불용성
InChI: 1S/C9H12O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3
InChIKey: IQISOVKPFBLQIQ-UHFFFAOYSA-N
SMILES: COc1ccc(OC)c(C)c1
LogP: 2.636 · 2.636 (est)
NIST: 1 · Benzene, 1,4-dimethoxy-2-methyl-(24599-58-4)
EPA: 2 · 2,5-Dimethoxytoluene (24599-58-4)

화학적 성질

CLEAR LIGHT YELLOW LIQUID

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29093090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

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

응용 분야 · 2건

용도2,5-Dimethoxytoluene may be used as a reagent in the synthesis of 2,5-dimethoxy-4-methylbenzaldehyde-7-14C. Its IR spectrum has been used to establish the methyl group migration in the acid catalyzed rearrangement of 4-methoxy-4-methylcyclohexadienone.

일반 설명2,5-Dimethoxytoluene (1,4-dimethoxy-2-methyl benzene) is a methoxy methyl benzene derivative. It has been synthesized from 2-methylhydroquinone. It is one of the volatile constituents identified from beechwood creosote and Tuber brumale species. It is reported to be one of the thermochemolysis products in Delaware bay particles and dissolved organic matters.