4-メチル-5-ビニルチアゾール
4-Methyl-5-vinylthiazole
基本情報
- CAS
1759-28-0- 標準SMILES
C=Cc1scnc1C- InChIKey
QUAMMXIRDIIGDJ-UHFFFAOYSA-N- 分子式
- C6H7NS
- 平均分子量
- 125.19 g/mol
- 単同位体質量
- 125.0299204
概要
structure in first source
名称と識別子
- 優先名称
- 4-Methyl-5-vinylthiazole
- IUPAC
- 5-ethenyl-4-methyl-1,3-thiazole
- 現地名
- 4-メチル-5-ビニルチアゾール
- 英語名
- 4-Methyl-5-vinylthiazole
- 分子式
- C6H7NS
- 分子量
- 125.19
名称と別名
4-METHYL-5-VINYLTHIAZOLE1759-28-0Thiazole, 5-ethenyl-4-methyl-5-ethenyl-4-methyl-1,3-thiazole5-Ethenyl-4-methylthiazoleThiazole, 4-methyl-5-vinyl-FEMA No. 33131G77935P78DTXSID5061952RefChem:525369DTXCID9035591217-160-4
名称をさらに表示
4-メチル-5-ビニルチアゾールビニルスルフロール5-ビニル-4-メチルチアゾール5-エテニル-4-メチルチアゾール4-メチル-5-エテニルチアゾール4-メチル-5-ビニルチアゾルメチル-5-ビニルチアゾール, 4-FEMA NUMBER 33134-METHYL-VINYL THIAZOLE4-methyl-5-vinyl-thiazol5-ethenyl-4-methyl-thiazolMETHYL-5-VINYLTHIAZOLE, 4-
4-Methyl-5-vinyl thiazolevinyl sulfurolVinylsulfurol5-Vinyl-4-methylthiazole4-methyl-5-vinyl-thiazoleMFCD00005337FEMA 33134-Methyl-5-vinyl-1,3-thiazole
データベース識別子
- CAS
1759-28-0- PubChem CID
- 15654
- DTXSID
DTXSID5061952- UNII
- 1G77935P78
- EC Number
- 217-160-4
- Nikkaji
- J24.662J
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 41.1 Ų
- 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
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 92.5
実験および物理化学的性質
FragrancesFragrance Ingredient (4-Methyl-5-vinylthiazole) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.091-1.095
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in organic solvents
Miscible at room temperature (in ethanol)
Boiling Point78-80 °C (25 mm Hg)
Melting Point-15 °C
Refractive Index1.560-1.570
Physical Description
Liquid
Colourless liquid; nutty, cocoa-like odour
物理化学的性質
- 融点
- -15 °C · -15 °C (lit.)
- 沸点
- 78 · 78-80 °C/25 mmHg (lit.)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): 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 1700 reports by companies from 8 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Thiazole, 5-ethenyl-4-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiazole, 5-ethenyl-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XJ5104000
- ridadr
- UN2810
- hs_code
- 29349990
- risk_code
- 22-36/37/38-20/21/22
- 消防法
- 危-4-3-III
- hazard_code
- Xn
- safety_code
- 26-36-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThiazole, 5-ethenyl-4-methyl-: ACTIVE
応用分野
用途有機合成原料。
天然物の起源Reported found in cocoa aroma, yellow passion fruit aroma, garlic, pork, cognac, roasted filberts and soursop.
使用4-Methyl-5-vinylthiazole is found in flowers and is highly attractive to both male and female beetles of three species of the genus Cyclocephala, pollinators of the studied plant taxa.
一般的な説明4-Methyl-5-vinylthiazole is a nitrogen and sulphur-containing heterocyclic compound, present in the species of Annona (magnoliids, Annonaceae) and Caladium bicolor (monocots, Araceae). It is extremely attractive to both male and female beetles of three species of the genus Cyclocephala.
関連反応
3 件
化合物ノート
読み込み中…