基本情報
- CAS
13623-11-5- 標準SMILES
Cc1nc(C)c(C)s1- InChIKey
BAMPVSWRQZNDQC-UHFFFAOYSA-N- 分子式
- C6H9NS
- 平均分子量
- 127.21 g/mol
- 単同位体質量
- 127.04557046
名称と識別子
- 優先名称
- 2,4,5-Trimethylthiazole
- IUPAC
- 2,4,5-trimethyl-1,3-thiazole
- 現地名
- 2,4,5-トリメチルチアゾール
- 英語名
- Trimethyl thiazole
- 分子式
- C6H9NS
- 分子量
- 127.21
名称と別名
2,4,5-Trimethylthiazole13623-11-5Trimethylthiazoletrimethyl-1,3-thiazoleThiazole, 2,4,5-trimethyl-FEMA No. 3325NSC-1706146393273PE0DTXSID5065564CHEBI:78738RefChem:82053DTXCID4034362
名称をさらに表示
2,4,5-トリメチルチアゾール2,4,5-トリメチルチアゾール, 98%FEMA 33252,4,5-Trimethylthiazole ,99%219185-5GFEMA NUMBER 33252,4,5-TRIMETHYLANILINE
237-107-9trimethyl thiazole2,4,5-Trimethyl-1,3-thiazoleThiazole, trimethyl-MFCD000053322,4,5-trimethyl thiazoletrimethyl-thiazoleTrioctyltrimellitate
データベース識別子
- CAS
13623-11-5- PubChem CID
- 61653
- DTXSID
DTXSID5065564- ChEBI
CHEBI:78738- UNII
- 6393273PE0
- EC Number
- 237-107-9
- Nikkaji
- J40.173K
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
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 84
実験および物理化学的性質
Density1.011-1.015
Solubility
slightly
Soluble in organic solvents
Miscible at room temperature (in ethanol)
Boiling Point
166.00 to 167.00 °C. @ 717.50 mm Hg
65-67 °C (20 mm Hg)
Refractive Index1.503-1.511
Physical DescriptionClear colourless liquid; cocoa, dark chocolate, nutty, coffee-like odour
Kovats Retention Index
973；974；976；997；997；997；972；973；974；981；1028；965；981；969；969；973.1
990；990；990；1007；997；996；1000；995；997；997；995
1380；1362；1378；1390；1366；1377；1385；1387；1380；1380；1380；1358；1362；1367；1390；1377；1370；1398；1394；1398
物理化学的性質
- 融点
- -32.4 °C · -32.4°C
- 沸点
- 166 · 166-167 °C/717 mmHg (lit.)
- 比重(密度)
- 1.013 g/mL · 1.013 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.509(lit.)
- FEMA
- 3325 · 3325 | 2,4,5-TRIMETHYLTHIAZOLE
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 (97.6%): 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 1453 reports by companies from 13 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Thiazole, 2,4,5-trimethyl-
Regulation (EC) No 1831/2003 (amended)
Thiazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
法規制情報
Regulatory Information
Chemical: Thiazole, 2,4,5-trimethyl-
Regulation (EC) No 1831/2003 (amended)
Thiazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339900
- risk_code
- 22-37/38-41-36/37/38
化学と産業
薬理情報
Cellular LocationsCytoplasm；Extracellular
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThiazole, 2,4,5-trimethyl-: ACTIVE
応用分野
用途有機合成原料。
天然物の起源Reported found in kohlrabi, French fried potato, boiled and cooked potato, fried chicken, raw chicken, boiled and cooked beef, grilled and roasted beef, lamb and mutton liver, boiled and cooked cured pork, coffee, black tea, coriander seed, katsuobushi (dried bonito), cooked shrimp and other natural sources.
使用2,4,5-Trimethylthiazole was employed as internal standard in the gas chromatographic determination of aldehydes in alcoholic beverages.
一般的な説明2,4,5-Trimethylthiazole is a volatile oxidant and was isolated during microwave-induced L-cysteine/D-glucose Maillard model system.
調製方法
製造方法By decarboxylation of 2,4-dimethylthiazole-5-acetic acid; by reacting acetamide and phosphorous pentasulfide with methyl-α-bromoethyl ketone.
上流・下流製品情報
上流原料
関連反応
3 件
化合物ノート
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