o-(Methylthio)phenol

HCID 61261CAS 1073-29-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CSc1ccccc1O
InChIKey
SOOARYARZPXNAL-UHFFFAOYSA-N
분자식
C7H8OS
평균 분자량
140.2 g/mol
단동위원소 질량
140.02958588

개요

2-(Methylthio)phenol is an aryl sulfide.

이름 및 식별자

우선 이름
o-(Methylthio)phenol
IUPAC
2-methylsulfanylphenol
영어명
2-Hydroxythioanisole
분자식
C7H8OS
분자량
140.2

이름 및 동의어

2-(Methylthio)phenol1073-29-62-Hydroxythioanisole2-(Methylsulfanyl)phenolo-(Methylthio)phenolPHENOL, 2-(METHYLTHIO)-Phenol, o-(methylthio)-2-MethylmercaptophenolHydroxythioanisole, o-(Methylthio)phenol, o-Methyl (2-hydroxyphenyl) sulfideFEMA No. 3210
이름 더 보기
Methylthio)pheno2-(methylthio)-phenoO-HYDROXYTHIOANISOLE2-METHYL-MERCAPTOPHENOL2-(Methylthio)phenol>
2-(methyl thio) phenol1-Hydroxy-2-methylmercaptobenzeneNSC 75839DTXSID9061463EINECS 214-027-2NSC-75839A6JO803536O-(METHYLTHIO)PHENOL [FHFI]

데이터베이스 식별자

CAS
1073-29-6
PubChem CID
61261
DTXSID
DTXSID9061463
ChEMBL
CHEMBL225343
ChEBI
CHEBI:173591
UNII
A6JO803536
EC Number
214-027-2
Nikkaji
J110.558B

물성

구조 계산 물성

XLogP
2.1
극성 표면적
45.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (o-(Methylthio)-phenol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.168-1.173
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point · 2건

218.00 to 219.00 °C. @ 760.00 mm Hg

218-219 °C; 105 °C (22 mm Hg)

물리화학적 성질

녹는점
84 · 84-85 °C
끓는 점
104 °C · 104 °C
밀도
1.16 · 1.16
굴절률
1.593 · 1.5930
FEMA
3210 · 3210 | O-(METHYLTHIO)-PHENOL
인화점
104 · 104-106°C/22mm

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.8% (11 of 1384) of reports.

Warning

H302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 1384 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: Phenol, 2-(methylthio)-

Phenol, 2-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (97%)

안전 데이터

tsca
TSCA listed
ridadr
3334
HS 번호
29349990
risk_code
36/37/38-36
hazard_code
Xi
safety_code
26-36-37

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 6건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPhenol, 2-(methylthio)-: ACTIVE

응용 분야

개요May be synthesized from the diazonium salt of methyl-(2-amino furyl)-sulfide.

출처Reported found as a constituent in coffee aroma

제조 방법

From the diazonium salt of methyl-(2-aminofuryl)-sulfid

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

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