2-(Methylthio)ethanol

HCID 78925CAS 5271-38-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CSCCO
InChIKey
WBBPRCNXBQTYLF-UHFFFAOYSA-N
분자식
C3H8OS
평균 분자량
92.16 g/mol
단동위원소 질량
92.02958588

개요

2-methylthioethanol is a primary alcohol that is the S-methyl derivative of mercaptoethanol. It is found as a volatile component in Cucumis melo Var. cantalupensis. It has a role as a xenobiotic metabolite and a plant metabolite. It is a primary alcohol and an aliphatic sulfide. It is functionally related to a mercaptoethanol.

이름 및 식별자

우선 이름
2-(Methylthio)ethanol
IUPAC
2-methylsulfanylethanol
영어명
2-(METHYLTHIO)ETHANOL
분자식
C3H8OS
분자량
92.16

이름 및 동의어

2-(Methylthio)ethanol5271-38-5Ethanol, 2-(methylthio)-2-methylthioethanolMethylthioethanol2-Methylmercaptoethanol2-Hydroxyethyl methyl sulfide2-(Methylsulfanyl)ethanol2-(methylsulfanyl)ethan-1-olMethyl 2-hydroxyethyl sulfideHydroxyethyl methyl sulfideS-Methylmercaptoethanol
이름 더 보기
2-(METHYLMERCAPTO)ETHANOL2-HydroxyethylmethylsulphideFEMA 40042-MethyIthioethanol2-(methylthio)-ethanoEthanol,2-(methylthio)-
beta-Methylmercaptoethanolbeta-Hydroxyethyl methyl sulfide1-Hydroxy-2-(methylthio)-ethanebeta-(Methylthio)ethanol5K6TOE95UYNSC-1902FEMA NO. 4004CHEBI:63861

데이터베이스 식별자

CAS
5271-38-5
PubChem CID
78925
DTXSID
DTXSID90200678
ChEMBL
CHEMBL277871
ChEBI
CHEBI:63861
UNII
5K6TOE95UY
EC Number
226-090-3
Nikkaji
J25.044I

물성

구조 계산 물성

XLogP
0.2
극성 표면적
45.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
5

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.055-1.065 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Insoluble in water; soluble in non-polar solvents

soluble (in ethanol)

Boiling Point · 2건

169.00 to 171.00 °C. @ 760.00 mm Hg

169-171 °C

물리화학적 성질

끓는 점
169 · 169-171 °C(lit.)
밀도
1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.4930(lit.)
FEMA
4004 · 4004 | 2-(METHYLTHIO)ETHANOL
인화점
158 °F · 158 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

2-(Methylthio)ethanol has a powerful, meat-like aroma.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 91.9% (91 of 99) of all reports.

Not Classified

Aggregated GHS information provided per 99 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Ethanol, 2-(methylthio)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

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

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
3
ridadr
2810
HS 번호
29309090
risk_code
20/21/22
safety_code
23-24/25-36/37/39
포장분류
III

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 5건

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

응용 분야 · 3건

출처Reportedly present in melon, tomato, durian (Durio zibethinus) and shrimp (cooked, roasted)

용도2-(Methylthio)ethanol is used as an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

일반 설명The transient absorption spectrum formed on reaction of H atoms and OH radicals with an aqueous solution of 2-(methylthio)ethanol was studied.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

추가 설명

정의ChEBI: A primary alcohol that is the S-methyl derivative of mercaptoethanol. It is found as a volatile component in Cucumis melo Var. cantalupensis.

관련 반응

67건
반응 기록 만들기

연결된 노트

불러오는 중…