4,5-Dimethylthiazole (HCID 62510)

概要

4,5-Dimethylthiazole is a member of thiazoles.

名称と識別子

優先名称: 4,5-Dimethylthiazole
IUPAC: 4,5-dimethyl-1,3-thiazole
現地名: 4,5-ジメチルチアゾール
英語名: 4,5-Dimethylthiazole
分子式: C5H7NS
分子量: 113.18

名称と別名

4,5-DIMETHYLTHIAZOLE3581-91-74,5-Dimethyl-1,3-thiazoleThiazole, 4,5-dimethyl-4,5-dimethyl thiazoleFEMA No. 3274EINECS 222-703-3BRN 0105694U3RP5I088GDTXSID401893484-27-00-00986 (Beilstein Handbook Reference)4,5-DIMETHYL THIAZOLE [FHFI]

名称をさらに表示

4,5-ジメチルチアゾール4,5-ジメチルチアゾ-ル4,5-ジメチルチアゾール, 98%4,5-ジメチル-1,3-チアゾールFEMA 3274FEMA NUMBER 32744,5-dimethyl-thiazol4,5-Dimethylthiazole>4,5-Dimethylthiazole,98%4,5-Dimethylthiazole100g4,5-Dimethylthiazole ,99%

RefChem:507854DTXCID70111839222-703-34,5-dimethyl-thiazoleMFCD000053362,2-DimethylthiazoleSCHEMBL532644,5-Dimethylthiazole, 97%

データベース識別子

CAS: 3581-91-7
PubChem CID: 62510
DTXSID: DTXSID40189348
ChEBI: CHEBI:193947
UNII: U3RP5I088G
EC Number: 222-703-3
Nikkaji: J45.577F

物性

構造計算による物性

XLogP: 1.8
極性表面積: 41.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 65.1

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.067-1.072

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Soluble in ether

Miscible at room temperature (in ethanol)

Boiling Point · 2 件

157.00 to 159.00 °C. @ 760.00 mm Hg

158 °C (742 mm Hg)

物理化学的性質

融点: 83 · 83-84 C
沸点: 158 °C/742 · 158 °C/742 mmHg (lit.)
比重(密度): 1.07 g/mL · 1.07 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.521(lit.)
FEMA: 3274 · 3274 | 4,5-DIMETHYLTHIAZOLE
闪点: 124 °F · 124 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: 個体
酸解離定数(Pka): 1 · pK1:3.73 (25°C,μ=0.1)
比重: 1.07 · 1.070
臭い (Odor): 0.1 %。ローストナッツのような魚のような緑色の茹でたエビ · ジプロピレングリコール中0.10%。ローストナッツのような魚のような緑色の茹でたエビ
においのタイプ: 魚の臭いがします
由来生物: synthetic
JECFA Number: 1035 · 1035
BRN: 105694 · 105694
主な用途: フレーバーそして香料
InChI: 1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKey: UWSONZCNXUSTKW-UHFFFAOYSA-N
SMILES: Cc1ncsc1C
LogP: 2.09 · 2.09
CAS データベース: 3581 · 3581-91-7(CAS DataBase Reference)
NISTの化学物質情報: 4 · Thiazole, 4,5-dimethyl-(3581-91-7)

化学的性質

化学的特性4,5-Dimethylthiazole is a colorless to light yellow liquid that has a roasted nutty, meaty, boiled poultry-like odor.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1451 reports by companies from 14 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Thiazole, 4,5-dimethyl-

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

Thiazole, 4,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (98.1%)

安全データ

wgk: 3
rtecs: XJ4380000
ridadr: UN 1993 3/PG 3
hs_code: 29349990
risk_code: 10-22-37/38-41-36/37/38
消防法: 危-4-2-III
hazard_code: Xn,Xi,F
safety_code: 16-26-39-37/39-36/37/39
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
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

Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

応用分野 · 4 件

用途有機合成原料。

天然物の起源Reported found in peanuts, toasted oats, malt, peach, pork, coffee, krill, shrimp and scallops

使用4,5-Dimethylthiazole was used in the preparation of 4-(bromomethyl)-5-(dibromomethyl)thiazole.

一般的な説明4,5-Dimethylthiazole is a thiazoles compounds that containing a thiazole ring substituted at positions 4 and 5 only. Radical bromination of 4,5-dimethylthiazole using N-bromosuccinimide in the presence of 2,2′-azobisisobutyronitrile yields mono-, tri- and tetrabromo compounds.

調製方法

製造方法From methyl-α-bromoethyl ketone; by oxidation of 2-mercaptothiazoles with hydrogen peroxide in aqueous solution; from 2-mercapto-4,5-dimethylthiazole.