CAS 638-02-8 2,5-Dimethylthiophene (HCID 12514)

概要

2,5-Dimethylthiophene is a member of thiophenes.

名称と識別子

優先名称: 2,5-Dimethylthiophene
IUPAC: 2,5-dimethylthiophene
現地名: 2,5-ジメチルチオフェン
英語名: 2,5-Dimethylthiophene
分子式: C6H8S
分子量: 112.19

名称と別名

2,5-DIMETHYLTHIOPHENE638-02-8Thiophene, 2,5-dimethyl-2,5-dimethyl-thiopheneMFCD000054522,5-dimethyl thiopheneV6DDX6WB12NSC-60689UNII-V6DDX6WB12NSC60689EINECS 211-313-92,5 Dimethylthiophene

名称をさらに表示

2,5-ジメチルチオフェンチオキセン2,5‐ジメチルチオフェン2,5-Thioxene2,5-DIMETHYTHIOPHENE2,5-Dimethylthiophene >2 5-DIMETHYLTHIOPHENE 98+%2,5-DIMETHYLTHIOPHENE, 98.5%2,5-Dimethylthiophene, 98.50%2,5-Dimethylthiophene USP/EP/BP2,5-DiMethylthiophene, 98.5% 25ML

Thiophene,5-dimethyl-SCHEMBL64283SCHEMBL126080SCHEMBL127992SCHEMBL1801431SCHEMBL3197397SCHEMBL3927968DTXSID2074295

データベース識別子

CAS: 638-02-8
PubChem CID: 12514
DTXSID: DTXSID2074295
ChEBI: CHEBI:167073
UNII: V6DDX6WB12
EC Number: 211-313-9
Nikkaji: J3.189.985K、J6.920E

物性

構造計算による物性

XLogP: 2.4
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: 7
形式電荷: 0
複雑度: 53.2

実験および物理化学的性質

Chemical ClassesOther Classes -> Thiophenes

SpringerMaterials PropertiesSchoenflies notation

Flavoring AgentsEU Flavoring substances

Boiling Point135.00 °C. @ 760.00 mm Hg

Melting Point-62.6 °C

Vapor Pressure3.0 [mmHg]

物理化学的性質

融点: -63 °C · -63°C
沸点: 134 °C/740 · 134 °C/740 mmHg (lit.)
比重(密度): 0.985 g/mL · 0.985 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.512(lit.)
闪点: 75 °F · 75 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 液体
比重: 0.985 · 0.985
色: 無色透明～微黄色透明
臭い (Odor): 0.1 %。ナッツっぽい硫黄 · プロピレングリコール中0.10%。ナッツっぽい硫黄
においのタイプ: 硫黄の
由来生物: synthetic
水溶解度: 水に不溶。アルコール、エーテル、ベンゼンに可溶。
BRN: 106450 · 106450
Henry's Law Constant: 3.7 · 3.7×10-3 mol/(m3Pa) at 25℃, Mazza (1980)
主な用途: フレーバーそして香料
InChI: 1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChIKey: GWQOOADXMVQEFT-UHFFFAOYSA-N
SMILES: Cc1ccc(C)s1
LogP: 2.523 · 2.523 (est)
CAS データベース: 638 · 638-02-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · Thiophene, 2,5-dimethyl-(638-02-8)
EPAの化学物質情報: 2 · 2,5-Dimethylthiophene (638-02-8)

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 · 4 件

Warning

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

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1427 reports by companies from 6 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Thiophene, 2,5-dimethyl-

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

2,5-Dimethylthiophene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Harmful by inhalation; [Alfa Aesar MSDS] See Thiophene.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29349990
risk_code: 10-37-20/22
消防法: 危-4-2-III
hazard_code: Xn,F,Xi
safety_code: 23-24/25-16-36-33-29-7/9-3/7/9
hazard_class: 3
packing_group: II
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsMembrane

応用分野 · 3 件

用途有機合成原料。

使用2,5-Dimethylthiophene is used as an intermediate in organic synthesis.

一般的な説明2,5-Dimethylthiophene is a volatile flavoring compound that has been identified in the essential oil of onion. It is reported to be one of the sulfur-containing compounds formed via Maillard reaction/Strecker degradation of cysteine with furaneol.