基本情報
- CAS
15679-13-7- 標準SMILES
Cc1csc(C(C)C)n1- InChIKey
OFLXNHNYPQPQKW-UHFFFAOYSA-N- 分子式
- C7H11NS
- 平均分子量
- 141.24 g/mol
- 単同位体質量
- 141.06122053
概要
2-isopropyl-4-methylthiazole is a 1,3-thiazole that is substituted at positions 2 and 4 by isopropyl and methyl groups, respectively. A fruit flavour intensifier, it has a peach flavour with distinct vegetable and tropical notes. Also used in apricot, nectarine, durian, mango, pear and blackcurrant flavours. Present in Indonesian durian fruit (Durio zibethinus), red tomatoes, yeast extract, coriander seed oil, and roast meats. It has a role as a flavouring agent and a Maillard reaction product.
名称と識別子
- 優先名称
- 2-Isopropyl-4-methylthiazole
- IUPAC
- 4-methyl-2-propan-2-yl-1,3-thiazole
- 現地名
- 2-イソプロピル-4-メチルチアゾール
- 英語名
- 2-Isopropyl-4-methyl thiazole
- 分子式
- C7H11NS
- 分子量
- 141.23
名称と別名
2-Isopropyl-4-methylthiazole15679-13-7Thiazole, 4-methyl-2-(1-methylethyl)-tropical thiazole4-Methyl-2-(1-methylethyl)thiazoleThiazole, 2-isopropyl-4-methyl-FEMA No. 3555peach thiazole4-methyl-2-propan-2-yl-1,3-thiazole2-Isopropyl-4-methyl-1,3-thiazole4-methyl-2-(propan-2-yl)-1,3-thiazoleisopropyl methyl thiazole
名称をさらに表示
2-イソプロピル-4-メチルチアゾール4-メチル-2-イソプロピルチアゾール2-イソプロピル-4-メチルチアゾ-ル2-イソプロピル-4-メチルチアゾール, 98%FEMA NUMBER 35552-Isopropyl-4-Mehtyl thiazoleThiazole, 4-methyl-2-isopropyl2-Isopropyl-4-methytl thiazole
NQF7JO3MUPFEMA 3555EINECS 239-758-44-Methyl-2-isopropylthiazoleDTXSID0047664CHEBI:1336792-ISOPROPYL-4-METHYLTHIAZOLE [FHFI]RefChem:473894
データベース識別子
- CAS
15679-13-7
物性
構造計算による物性
- XLogP
- 2.5
- 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
- 9
- 形式電荷
- 0
- 複雑度
- 92.9
実験および物理化学的性質
FragrancesFragrance Ingredient (2-Isopropyl-4-methylthiazole) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.001-1.006
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; Miscible in fats
Miscible at room temperature (in ethanol)
Boiling Point92 °C (50 mm Hg)
Refractive Index1.480-1.502
Physical DescriptionColourless to pale yellow liquid; green, herbaceous, vegetable, earthy odour
物理化学的性質
- 沸点
- 92 °C50 · 92 °C50 mm Hg(lit.)
- 比重(密度)
- 1.001 g/mL · 1.001 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.5(lit.)
- FEMA
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
H226 (10.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1753 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Thiazole, 4-methyl-2-(1-methylethyl)-
Regulation (EC) No 1831/2003 (amended)
Thiazole, 4-methyl-2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (10.2%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29341000
- risk_code
- 36/37/38
- 消防法
- 危-4-2-III
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Eye Irrit. 2Flam. 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 LocationsMembrane
用途と製造
Household ProductsInformation on 1 consumer products that contain 2-Isopropyl-4-methylthiazole in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationThiazole, 4-methyl-2-(1-methylethyl)-: ACTIVE
応用分野
用途有機合成原料。
説明2-Isopropyl-4-methylthiazole is green, vegetable, nutty, rooty, and earthy.
天然物の起源Reported found in roasted meat, fried potato, tomato, oat g
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