2-Methylthiophene (HCID 11126)

概要

2-methylthiophene is a member of the class of thiophenes that is thiophene in which the hydrogen atom at position 2 is substituted by a methyl group. It has a role as a flavouring agent and a Maillard reaction product. It is a volatile organic compound and a member of thiophenes. It is functionally related to a thiophene.

名称と識別子

優先名称: 2-Methylthiophene
IUPAC: 2-methylthiophene
現地名: 2-メチルチオフェン
英語名: 2-Methylthiophene
分子式: C5H6S
分子量: 98.17

名称と別名

2-METHYLTHIOPHENE554-14-3Thiophene, 2-methyl-alpha-MethylthiopheneCCRIS 29362-Methylthiacyclopentadiene2-thiotolene2-methylthiophenEINECS 209-063-0BRN 0103734AI3-159117115JAP77A

名称をさらに表示

2-メチルチオフェン5-メチルチオフェンα-チオトレン2‐メチルチオフェン2-メチルチオフェン, 2000 µg/mL in Toluenemethylthiol2-Methylthiophene CAS NO.554-14-32-methylthiacyclopentadiene (2-methylthiophene)2MTα-Thiotolene2-methyl-thiophen5-Methylthiophene

.ALPHA.-METHYLTHIOPHENEDTXSID3060291FEMA NO. 4928CHEBI:141567alphaMethylthiopheneThiophene, 2methylRefChem:476298DTXCID7041883

データベース識別子

CAS: 25154-40-9、554-14-3
PubChem CID: 11126
DTXSID: DTXSID3060291
ChEBI: CHEBI:141567
UNII: 7115JAP77A
EC Number: 209-063-0
Nikkaji: J2.203.198H、J6.459I

物性

構造計算による物性

XLogP: 2.3
極性表面積: 28.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 43.2

実験および物理化学的性質

Chemical ClassesOther Classes -> Thiophenes

SpringerMaterials PropertiesSchoenflies notation

LogP · 2 件

2.33

Flavoring AgentsEU Flavoring substances

Solubility112.6 mg/L @ 25 °C (exp)

Boiling Point112.00 °C. @ 760.00 mm Hg

物理化学的性質

融点: -63 °C · -63 °C (lit.)
沸点: 113 °C · 113 °C (lit.)
比重(密度): 1.014 g/mL · 1.014 g/mL at 25 °C (lit.)
蒸気圧: 47.6 mm · 47.6 mm Hg ( 37.7 °C)
屈折率: 20 · n20/D 1.52(lit.)
闪点: 45 °F · 45 °F
貯蔵温度: 2 · 2-8°C
溶解性: 混和しない
外見: 液体
比重: 1.025 · 1.025 (20℃)
色: 無色透明～黄色
臭い (Odor): 0.01 %。硫黄、ニンニク、タマネギ、グリル、グリーン · プロピレングリコール中0.01%。硫黄、ニンニク、タマネギ、グリル、グリーン
においのタイプ: 硫黄の
水溶解度: 混和しない
比熱容量: 1.53 J/ · Cp(liquid): 1.53 J/(g·K), at 25℃
BRN: 103734 · 103734
Henry's Law Constant: 4.1 · 4.1×10-3 mol/(m3Pa) at 25℃, Brockbank (2013)
InChI: 1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey: XQQBUAPQHNYYRS-UHFFFAOYSA-N
SMILES: Cc1cccs1
LogP: 2.33 · 2.330
CAS データベース: 554 · 554-14-3(CAS DataBase Reference)
NISTの化学物質情報: 2 · Thiophene, 2-methyl-(554-14-3)
EPAの化学物質情報: 2 · Thiophene, 2-methyl- (554-14-3)

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.8% (11 of 1456) of reports.

Danger

H225 (10.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1456 reports by companies from 8 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: Thiophene, 2-methyl-

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

2-Methylthiophene: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 2 (10.8%)

毒性情報

Toxicity DataLC50 (mouse) = 11,500 mg/m3/2hr

安全データ

F: 10-13
wgk: 3
tsca: TSCA listed
rtecs: XM9625000
ridadr: UN 1993 3/PG 2
hs_code: 29349990
risk_code: 11-22-36/37/38-37-2017/11/22
消防法: 危-4-1-II
hazard_code: F,Xn,Xi
safety_code: 16-37/39-26-36-33-7/9
hazard_class: 3
packing_group: II
Hazard Classifications: Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

UsesFlavoring agent that naturally occurs in grilled and roasted beef, papaya, cooked shrimp, whiskey, and in trace amounts in roasted chicken; [ExPub: EFSA]

General Manufacturing InformationThiophene, 2-methyl-: ACTIVE

応用分野

用途有機合成原料。

使用2-Methylthiophene, is used as a flavoring agent that naturally occurs in grilled and roasted beef, papaya, cooked shrimp, whiskey, and in trace amounts in roasted chicken;

調製方法

2-Methylthiophene is commercially produced to 98 wt% purity by VP cyclization.

上流・下流製品情報

上流原料

Thiophene(SIV) (9CI)2,3,5-トリメチルチオフェン 2-エチル-5-メチルチオフェン 2-ブチルチオフェン

下流製品

5-METHYLTHIOPHEN-2-YLMETHYLAMINE 5-メチル-2-チオフェンボロン酸 METHYL 4-METHYLTHIOPHENE-2-CARBOXYLATE 2-クロロメチルチオフェン 4-メチル-チオフェン-2-カルボン酸 2-ブロモ-5-メチルチオフェン 5-メチルチオフェン-2-アルデヒド 4-ブロモ-5-メチルチオフェン-2-カルボキシアルデヒド 2-メチルテトラヒドロチオフェン 2,4-ジブロモ-5-メチルチオフェン

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

2-メチルチオフェン

基本情報

概要