2-Methyl-3-furanthiol

HCID 34286CAS 28588-74-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1occc1S
InChIKey
RUYNUXHHUVUINQ-UHFFFAOYSA-N
분자식
C5H6OS
평균 분자량
114.17 g/mol
단동위원소 질량
114.01393581

개요

2-Methyl-3-furanthiol is a heteroarene.

이름 및 식별자

우선 이름
2-Methyl-3-furanthiol
IUPAC
2-methylfuran-3-thiol
영어명
2-Methyl-3-furanthiol
분자식
C5H6OS
분자량
114.17

이름 및 동의어

2-Methyl-3-furanthiol28588-74-12-Methylfuran-3-thiol3-FURANTHIOL, 2-METHYL-2-Methyl-3-mercaptofuran2-Methyl-3-furylthiol2-Methyl-3-furylmercaptanFEMA No. 3188DTXSID5047118N21RW1N179DTXCID3027118RefChem:88081
이름 더 보기
FEMA 31882-Methyl-3-Mercapofuranfish thiol2-methyl-3-furanthioMethyl-3-furanethiol
249-094-72-methyl-3-furanethiol3-Mercapto-2-methylfuran2-methyl-furan-3-thiol2-methyl-3-sulfanylfuranOxycyclothione 030MFCD000102802-Methyl, 3-furanethiol

데이터베이스 식별자

CAS
28588-74-1
PubChem CID
34286
DTXSID
DTXSID5047118
ChEMBL
CHEMBL3188696
ChEBI
CHEBI:167074
UNII
N21RW1N179
EC Number
249-094-7
Nikkaji
J75.521D

물성

구조 계산 물성

XLogP
1.5
극성 표면적
14.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
7

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (2-Methyl-3-furanthiol) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.141-1.150
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Insoluble in water,soluble in organic solvents,oils

Miscible at room temperature (in ethanol)

Boiling Point · 2건

57.00 to 60.00 °C. @ 44.00 mm Hg

57-60 °C (44 mm Hg)

물리화학적 성질

끓는 점
57 · 57-60 °C/44 mmHg (lit.)
밀도
1.145 g/mL · 1.145 g/mL at 25 °C
증기 밀도
1 · >1 (vs air)
굴절률
20 · n20/D 1.518(lit.)
FEMA
3188 · 3188 | 2-METHYL-3-FURANTHIOL
인화점
98 °F · 98 °F

화학적 성질

2-Methyl-3-furanthiol has an odor and taste of roasted meat

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1707 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 3-Furanthiol, 2-methyl-

Regulation (EC) No 1831/2003 (amended)

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

Other Safety InformationIMAP assessments - 3-Furanthiol, 2-methyl-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
LU6235000
ridadr
UN 1228 3/PG 3
독성
mouse,LD50,oral,100mg/kg (100mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
HS 번호
29321900

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information3-Furanthiol, 2-methyl-: ACTIVE
응용 분야 · 4건

개요2-Methyl-3-furanthiol has an odor and taste of roasted meat.

출처Reported found in fatty fish and raw chicken, cooked beef and coffee.

용도2-Methyl-3-furanthiol is used in baking food, meat and spices.

일반 설명2-Methyl-3-furanthiol, a sulfur-containing compound, is the key odorant in cooked ham, wine and canned tuna fish.

제조 방법

By a patented process.

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]
济南远泽生物科技有限公司15063396929; 15063396929
宁夏信达昌科技有限公司13832371507
T&W GROUP021-61551611 13296011611 · [email protected]

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