2-メチル-3-フランチオール

2-Methyl-3-furanthiol

HCID 34286CAS 28588-74-1
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1occc1S
InChIKey
RUYNUXHHUVUINQ-UHFFFAOYSA-N
分子式
C5H6OS
平均分子量
114.17 g/mol
単同位体質量
114.01393581

概要

2-Methyl-3-furanthiol is a heteroarene.

名称と識別子

優先名称
2-Methyl-3-furanthiol
IUPAC
2-methylfuran-3-thiol
現地名
2-メチル-3-フランチオール
英語名
2-Methyl-3-furanthiol
分子式
C5H6OS
分子量
114.17

名称と別名

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
名称をさらに表示
2-メチル-3-フランチオール2-メチルフラン-3-チオール3-メルカプト-2-メチルフラン2-メチル-3-フランチオール (90%)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

データベース識別子

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

物性

構造計算による物性

XLogP
1.5
極性表面積
14.1 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
0
重原子数
7

実験および物理化学的性質

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 · 2 件

Insoluble in water,soluble in organic solvents,oils

Miscible at room temperature (in ethanol)

Boiling Point · 2 件

57.00 to 60.00 °C. @ 44.00 mm Hg

57-60 °C (44 mm Hg)

物理化学的性質

沸点
57 · 57-60 °C/44 mmHg (lit.)
比重(密度)
1.145 g/mL · 1.145 g/mL at 25 °C
蒸気密度
1 · >1 (vs air)
屈折率
20 · n20/D 1.518(lit.)
FEMA
3188 · 3188 | 2-METHYL-3-FURANTHIOL
闪点
98 °F · 98 °F

化学的性質

化学的特性2-Methyl-3-furanthiol has an odor and taste of roasted meat

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

安全データ

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

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information3-Furanthiol, 2-methyl-: ACTIVE
応用分野 · 5 件

用途有機合成原料。

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

天然物の起源Reported found in fatty fish and raw chicken, cooked beef and coffee.

使用2-Methyl-3-furanthiol is used in baking food, meat and spices.

一般的な説明2-Methyl-3-furanthiol, a sulfur-containing compound, is the key odorant in cooked ham, wine and canned tuna fish.

調製方法

製造方法By a patented process.

上流・下流製品情報

サプライヤー50 社

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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