2-アセチルチアゾール
2-Acetylthiazole
基本情報
- CAS
24295-03-2- 標準SMILES
CC(=O)c1nccs1- InChIKey
MOMFXATYAINJML-UHFFFAOYSA-N- 分子式
- C5H5NOS
- 平均分子量
- 127.17 g/mol
- 単同位体質量
- 127.00918496
概要
2-Acetylthiazole is an aromatic ketone.
名称と識別子
- 優先名称
- 2-Acetylthiazole
- IUPAC
- 1-(1,3-thiazol-2-yl)ethanone
- 現地名
- 2-アセチルチアゾール
- 英語名
- 2-Acetylthiazole
- 分子式
- C5H5NOS
- 分子量
- 127.16
名称と別名
2-Acetylthiazole24295-03-21-(1,3-Thiazol-2-yl)ethan-1-one1-(1,3-Thiazol-2-yl)ethanoneEthanone, 1-(2-thiazolyl)-Ketone, methyl 2-thiazolyl1-(Thiazol-2-yl)ethan-1-oneMethyl 2-thiazolyl ketone2-Thiazolyl methyl ketoneFEMA No. 3328DTXSID003016216IGS5268I
名称をさらに表示
2-アセチルチアゾール1-(チアゾール-2-イル)エタノンメチル(2-チアゾリル)ケトン1-(2-チアゾリル)エタノン2-アセチルチアゾ-ル2‐アセチルチアゾール2-アセチル-1,3-チアゾール2-AcetylthiazolFEMA 3328AcetylthiazoleFEMA NUMBER 33282-acetylthiazoneTHIAZOLE-2-ACETYL2-Acetylo thiazole
DTXCID8010162RefChem:85013246-134-51-thiazol-2-yl-ethanone2-ACETYL THIAZOLEMFCD000053241-(thiazol-2-yl)ethanoneThiazole, 2-acetyl
データベース識別子
- CAS
24295-03-2- PubChem CID
- 520108
- DTXSID
DTXSID0030162- ChEMBL
CHEMBL1589555- ChEBI
CHEBI:173474- UNII
- 16IGS5268I
- EC Number
- 246-134-5
- Nikkaji
- J45.590C
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 58.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 105
実験および物理化学的性質
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (2-Acetylthiazole) -> IFRA transparency List
Food AdditivesANTIOXIDANT, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, PROCESSING AID, SURFACE-FINISHING AGENT -> FDA Substance added to food
Density1.225-1.229
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in fats, oils, most organic solvents
Miscible at room temperature (in ethanol)
Boiling Point
89.00 to 91.00 °C. @ 12.00 mm Hg
89-91 °C (12 mm Hg)
Melting Point64.5 - 65.5 °C
Refractive Index1.543-1.550
Physical Description
Solid
Clear, colourless to pale yellow, oily liquid; cocoa, hazelnut, popcorn, bread-like odour
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
This chemical does not meet GHS hazard criteria for 9.7% (153 of 1570) of reports.
Warning
H302 (90.1%): 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 1570 reports by companies from 13 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Ethanone, 1-(2-thiazolyl)-
Regulation (EC) No 1831/2003 (amended)
Ethanone, 1-(2-thiazolyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanone, 1-(2-thiazolyl)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (90.1%)
安全データ
- F
- 13
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3334
- hs_code
- 29341000
- risk_code
- 22-36-43-36/37/38
- 消防法
- 危-4-3-III
- hazard_code
- Xn,Xi
- hazard_note
- Irritant/Stench
- safety_code
- 26-36/37-24/25-36
- hazard_class
- STENCH
- 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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationEthanone, 1-(2-thiazolyl)-: ACTIVE
応用分野
用途有機合成原料。
天然物の起源2-Acetylthiazole is naturally found in raw asparagus, cooked asparagus, kohlrabi, cooked or boiled potatoes, turkey (roasted), raw chicken, boiled and cooked beef, grilled and roasted beef, pork liver, beer, Finnish whiskey, heated beans, other varieties of mushroom, rice bran, maize, and other natural sources.
使用2-Acetylthiazole can be used as a flavoring agent in food industries. It may be used as a food additive in the preparation of ′fragrant′ rice. It also was used in the preparation of triazolothiazoles, chiral alcohols and in aldol condensation reactions.
一般的な説明2-Acetylthiazole is a volatile flavoring substance generally formed by the Maillard reaction between an amino acid and carbonyl compounds. It is reported to occur in canned sweet corn products, cooked pine mushroom, cooked asparagus and roasted beef.
調製方法
製造方法2-Acetylthiazole is formed by oxidation of the corresponding carbinol using dichromate.
Check NMR spectrum; if it is not too bad, distil it through an efficient column in a vacuum. The oxime sublimes at 140-145o, m 159o, and when crystallised from H2O has m 163-165.5o. [Erlenmeyer et al. Helv Chim Acta 31 1142 1948, Waisvisz et al. J Am Chem Soc 79 4524 1957, Menasseé et al. Helv Chim Acta 40 554 1957, Beilstein 27 IV 2617.]
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