Thioguaiacol

HCID 23642CAS 7217-59-6
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기본 정보

표준 SMILES
COc1ccccc1S
InChIKey
DSCJETUEDFKYGN-UHFFFAOYSA-N
분자식
C7H8OS
평균 분자량
140.2 g/mol
단동위원소 질량
140.02958588

개요

2-Methoxybenzenethiol is a thiol.

이름 및 식별자

우선 이름
Thioguaiacol
IUPAC
2-methoxybenzenethiol
영어명
2-Methoxybenzenethiol
분자식
C7H8OS
분자량
140.2

이름 및 동의어

2-Methoxybenzenethiol2-Methoxythiophenol7217-59-6ThioguaiacolBenzenethiol, 2-methoxy-o-Methoxybenzenethiol2-methoxybenzene-1-thiol2-MercaptoanisoleBENZENETHIOL, o-METHOXY-EINECS 230-605-7BRN 204217890HAL41673
이름 더 보기
ortho-thioguaiacolO-METHOXYTHIOPHENOL2-Methoxythiophenole2-methoxy-benzenethioo-methoxy-benzenethio
DTXSID0064595FEMA NO. 4159DSCJETUEDFKYGN-UHFFFAOYSA-4-06-00-05633 (Beilstein Handbook Reference)RefChem:897808DTXCID50472492-MERCAPTOANISOLE [FHFI]230-605-7

데이터베이스 식별자

CAS
7217-59-6
PubChem CID
23642
DTXSID
DTXSID0064595
ChEMBL
CHEMBL333973
ChEBI
CHEBI:173586
UNII
90HAL41673
EC Number
230-605-7
Nikkaji
J149.909B

물성

구조 계산 물성

XLogP
2.3
극성 표면적
10.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.137-1.149
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Practically insoluble or insoluble in water

Soluble (in ethanol)

Boiling Point · 2건

99.00 °C. @ 8.00 mm Hg

225-228 °C

물리화학적 성질

녹는점
306.7 · 306.7-313.7 °C (decomp)
끓는 점
99 °C/8 · 99 °C/8 mmHg (lit.)
밀도
1.152 g/mL · 1.152 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.591(lit.)
FEMA
4159 · 4159 | 2-MERCAPTOANISOLE
인화점
204 °F · 204 °F

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 292 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenethiol, 2-methoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzenethiol, 2-methoxy-: 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
rtecs
DC1790000
ridadr
3334
HS 번호
29309090
risk_code
22-36/37/38

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzenethiol, 2-methoxy-: ACTIVE
응용 분야 · 3건

출처Reported found in coffee.

용도2-Methoxythiophenol is used in the synthesis of berberine-thiophenyl hybrids as multifunctional agents. Inhibition of acetylcholinesterase, butyrylcholinesterase and AB aggregation antioxidant activity.

일반 설명2-Methoxythiophenol is a sulfur-containing compound that can be used as a flavoring agent.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
荟达医药科技(上海)有限公司15173502222 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [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]

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