3,5-Dimethoxytoluene (HCID 77844)

개요

3,5-dimethoxytoluene is a member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties. It has a role as a fragrance and a plant metabolite. It is a member of toluenes and a member of methoxybenzenes.

이름 및 식별자

우선 이름: 3,5-Dimethoxytoluene
IUPAC: 1,3-dimethoxy-5-methylbenzene
현지명: 디메톡시톨루엔
영어명: 3,5-Dimethoxytoluene
분자식: C9H12O2
분자량: 152.19

이름 및 동의어

3,5-Dimethoxytoluene4179-19-51,3-Dimethoxy-5-methylbenzeneOrcinol dimethyl etherBenzene, 1,3-dimethoxy-5-methyl-5-Methylresorcinol dimethyl etherToluene, 3,5-dimethoxy-NSC-72352L7P9D5C5RGDTXSID8063339CHEBI:141217RefChem:91575

이름 더 보기

디메톡시톨루엔3,5-다이메톡시톨루엔SKL3053,5-Dimethoxytoluene,99%3,5-Dimethoxytoluene >3,5-DiMethoxytoluene, GC 98%1,3-dimethoxy-5-methyl-benzen3,5-Dimethoxy-1-methylbenzene

DTXCID0039988224-048-9MFCD000154353,5-dimethoxy toluene5-methyl-1,3-dimethoxybenzene1-Methyl-3,5-dimethoxybenzene1,3-dimethoxy-5-methyl-benzeneAKOS006222974

데이터베이스 식별자

CAS: 4179-19-5
PubChem CID: 77844
DTXSID: DTXSID8063339
ChEBI: CHEBI:141217
UNII: L7P9D5C5RG
EC Number: 224-048-9
Nikkaji: J133.176K

물성

구조 계산 물성

XLogP: 2.2
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: 102

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (3,5-Dimethoxytoluene) -> IFRA transparency List

물리화학적 성질

녹는점: 61 · 61-62 C
끓는 점: 244 °C · 244 °C (lit.)
밀도: 1.039 g/mL · 1.039 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
용해도: 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
물리적 상태: 액체
Specific Gravity: 1.039 · 1.039
색상: 무색~황색으로 투명함
냄새: Warm and sweet, nut-like, earthy-mossy odor
BRN: 2043558 · 2043558
화장품 원료 기능: 향수
InChI: 1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3
InChIKey: RIZBLVRXRWHLFA-UHFFFAOYSA-N
SMILES: COc1cc(C)cc(OC)c1
LogP: 2.897 · 2.897 (est)
NIST: 3 · 3,5-Dimethoxytoluene(4179-19-5)
EPA: 3 · 3,5-Dimethoxytoluene (4179-19-5)

화학적 성질

Clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.2% (3 of 1420) of reports.

Warning

H315 (99.8%): 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 1420 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzene, 1,3-dimethoxy-5-methyl-

Benzene, 1,3-dimethoxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzene, 1,3-dimethoxy-5-methyl-: Environment tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (99.8%)

안전 데이터

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

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use ClassificationFragrance Ingredients

General Manufacturing InformationBenzene, 1,3-dimethoxy-5-methyl-: ACTIVE

응용 분야 · 3건

용도3,5-Dimethoxytoluene (DMT) may be used in the synthesis of 3,5-dimethoxybenzoic acid by oxidation and 2-methoxy-6-methyl-1,4-benzoquinone by catalytic oxidation with hydrogen peroxide (H2O2)/methyltrioxorhenium (CH3ReO3) in dimethyl carbonate (DMC).

용도3,5-Dimethoxytoluene has been suggested for use in perfume compositions as supporting note for Oakmoss and Vetiver, and as a novel note in Chypre, Fougere and Oriental fragrance types.

일반 설명3,5-Dimethoxytoluene (DMT) is a methoxylated phenolic derivative. It is reported to be one of the main constituent of the floral volatiles in different rose varieties. It has been biosynthesized from orcinol by two successive methylation catalyzed by O-methyltransferases (OMTs). The features of its aerobic oxidation with metal/bromide catalysts have been investigated.

제조 방법

생산 방법3,5-Dimethoxytoluene can be produced from Orcinol in weak aqueous alkali with Dimethylsulfate at controlled temperature.

상·하류 제품 정보

상류 원료

오르시놀 메틸마그네슘브로마이드 2,6-디메톡시-4-메틸벤조산 3 5-DIMETHOXYPHENYL TRIFLUOROMETHANESUL&5-메틸시클로헥산-1,3-디온 3,4,5-Trimethoxytoluene 메틸리튬 디메틸설페이트 요오드 메탄 Nintedanib Impurity 65 5-클로로-1,3-디메톡시벤젠 3,5-DIMETHOXYBENZYL BROMIDE

하류 제품

3-CHLORO-2,6-DIHYDROXY-4-METHYLBENZALDEHYDE

공급사50 곳

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

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

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

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

연결된 노트

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디메톡시톨루엔

기본 정보

개요