Tetrahydro-2-methyl-3-furanthiol

HCID 62128CAS 57124-87-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1OCCC1S
InChIKey
DBPHPBLAKVZXOY-UHFFFAOYSA-N
분자식
C5H10OS
평균 분자량
118.2 g/mol
단동위원소 질량
118.04523594

개요

Tetrahydro-2-methyl-3-furanthiol is a member of oxolanes.

이름 및 식별자

우선 이름
Tetrahydro-2-methyl-3-furanthiol
IUPAC
2-methyloxolane-3-thiol
영어명
2-Methyltetrahydrofuran-3-thiol
분자식
C5H10OS
분자량
118.19

이름 및 동의어

2-Methyltetrahydrofuran-3-thiol2-Methyl-3-tetrahydrofuranthiol2-methyloxolane-3-thiolTetrahydro-2-methyl-3-furanthiol3-Furanthiol, tetrahydro-2-methyl-2-Methyl-3-mercaptotetrahydrofuranUNII-D826F42XX8EINECS 260-572-4Pentitol, 1,4-anhydro-2,5-dideoxy-3-thio-DTXSID10866614D826F42XX8RefChem:188619
이름 더 보기
FEMA 37872-METHYLTETRFurfural Impurity 28Methyl-3-tetrahydrofuranth2-Metyl-3-tetrahydrofuranthioltetrahydro-2-methyl-3-furanthioTETRAHYDRO-2-METHYLFURAN-3-THIOL
FEMA NO. 3787DTXCID008148812-METHYL-3-TETRAHYDROFURANTHIOL [FHFI]57124-87-5MFCD016325963-Mercapto-2-methyltetrahydrofuran1,4-Anhydro-2,5-dideoxy-3-thiopentitol; Tetrahydro-2-methyl-3-furanthiol; 2-Methyl-3-mercaptotetrahydrofuran; 2-Methyltetrahydrofuran-3-thiol;2,5-Anhydro-1,4-dideoxy-3-thiopentitol

데이터베이스 식별자

CAS
57124-87-5
PubChem CID
62128
DTXSID
DTXSID10866614
ChEBI
CHEBI:173449
EC Number
260-572-4
Nikkaji
J349.088B

물성

구조 계산 물성

XLogP
1
극성 표면적
10.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
7

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.042-1.049
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Insoluble in water; soluble in fat

Miscible at room temperature (in ethanol)

Boiling Point · 2건

163.00 to 168.00 °C. @ 760.00 mm Hg

79 °C (54 mm Hg)

Refractive Index1.475-1.491

물리화학적 성질

끓는 점
160 · 160-180 °C
밀도
1.04 g/mL · 1.04 g/mL at 25 °C(lit.)
굴절률
1.473 · 1.473-1.491
FEMA
3787 · 3787 | 2-METHYL-3-TETRAHYDROFURANTHIOL
인화점
30 °C · 30 °C
저장 조건
Inert atmosphere,Room Temperature

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (38.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1455 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

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

3-Furanthiol, tetrahydro-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (38.4%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
1993
HS 번호
29321900
risk_code
36/38-10-36/37/38
hazard_code
Xi

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationPentitol, 1,4-anhydro-2,5-dideoxy-3-thio-: ACTIVE
응용 분야 · 3건

출처Reported found in heated pork meat

용도2-Methyltetrahydrofuran-3-thiol is a compound used as flavor

일반 설명2-Methyl-3-tetrahydrofuranthiol is a sulfur-containing flavor compound mainly used in meat flavorings.

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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
枣庄九星生物科技有限公司0632-3759569 13589608009
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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