基本情報
- CAS
2882-20-4- 標準SMILES
CSc1nccnc1C- InChIKey
PPPFFGVGWFKTHX-UHFFFAOYSA-N- 分子式
- C6H8N2S
- 平均分子量
- 140.21 g/mol
- 単同位体質量
- 140.04081926
概要
2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers) is an aryl sulfide.
名称と識別子
- 優先名称
- Pyrazine, methyl(methylthio)-
- IUPAC
- 2-methyl-3-methylsulfanylpyrazine
- 英語名
- 2-Methylthio-3,5-methylpyrazine
- 分子式
- C7H10N2S
- 分子量
- 154.23
名称と別名
Methyl(methylthio)pyrazineFEMA No. 3208RefChem:1097201OTV9F5B18P2-Methyl-3(or 5 or 6)-methylthiopyrazine267-918-3Pyrazine, 2-methyl-3-(methylthio)-, mixt. with 2-methyl-5-(methylthio)pyrazine and 2-methyl-6-(methylthio)pyrazine67952-65-2Pyrazine, methyl(methylthio)-2-Methyl-3-(methylthio)pyrazine2882-20-42-Methylthio-3-methylpyrazine
名称をさらに表示
FEMA 3208somer mixturemethyl(methylthio)-pyrazin2-Methylthio-3,5-methylpyrazine2-Methylthio-3(6)-methyl-pyrazine3,5-Dimethyl-2-(methylthio)pyrazine2-Methyl-3(or5or6)-methylthiopyrazine(METHYLTHIO)METHYLPYRAZINE 98+% MIXTU&2-Methylthio-3 (or 5 or 6)-Methylpyrazine
Pyrazine, 2-methyl-3-(methylthio)-2-Methyl-3-methylsulfanyl-pyrazine2-methyl-3-methylsulfanylpyrazine3-Methyl-2-methylthiopyrazine2-Methyl-3-methylmercaptopyrazine2-Methylmercapto-3-methylpyrazineMFCD00014610Pyrazine, 2-methyl-3(or 5)-(methylthio)-
データベース識別子
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 51.1 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
- 9
- 形式電荷
- 0
- 複雑度
- 87.1
実験および物理化学的性質
Fragrances
Fragrance Ingredient (Pyrazine, 2-methyl-3-(methylthio)-) -> IFRA transparency List
Fragrance Ingredient (Pyrazine, methyl (methylthio)-) -> IFRA transparency List
LogP1.81
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring Agents
EU Flavoring substances
EU Flavoring substances
物理化学的性質
- 比重(密度)
- 1.145 g/mL · 1.145 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.583(lit.)
- FEMA
- 3208 · 3208 | (METHYLTHIO)METHYLPYRAZINE (MIXTURE OF ISOMERS)
- 闪点
- 193 °F · 193 °F
- 臭い (Odor)
- 0.1 %。ナッツっぽい土っぽいピーナッツかび臭いコーヒー野菜 · ジプロピレングリコール中0.10%。ナッツっぽい土っぽいピーナッツかび臭いコーヒー野菜
- においのタイプ
- ナッティ
- 由来生物
- synthetic
- JECFA Number
- 797 · 797
- 主な用途
- フレーバーそして香料
- InChI
- 1S/2C6H8N2S/c1-5-3-8-6(9-2)4-7-5;1-5-6(9-2)8-4-3-7-5/h2*3-4H,1-2H3
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 15.1% (237 of 1565) of reports.
Warning
H226 (82.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1565 reports by companies from 6 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 97.5% (1522 of 1561) of all reports.
危険有害性情報
Regulatory Information
Chemical: Pyrazine, 2-methyl-3-(methylthio)-
Chemical: Pyrazine, methyl(methylthio)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2-methyl-3-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Pyrazine, methyl(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pyrazine, 2-methyl-3-(methylthio)-: Environment tier I assessment
Hazard Classes and Categories
Not Classified
Flam. Liq. 3 (82.2%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Fragrance Ingredients
Fragrance Ingredients
General Manufacturing Information
Pyrazine, 2-methyl-3-(methylthio)-: ACTIVE
Pyrazine, methyl(methylthio)-: ACTIVE
Pyrazine, 2-methyl-3(or 5)-(methylthio)-: ACTIVE
応用分野
説明2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers) is like roasted almonds, hazelnuts. This may be prepared from 2-methylchloropyrazine; a mixture of 2-methyl-3-methylthiopyrazine, 2-methyl-5-methylthiopyrazine, and 2-methyl-6-methylthiopyrazine is obtained.
調製方法
製造方法From 2-methylchloropyrazine; a mixture of 2-methyl-3-methylthiopyrazine, 2-methyl-5-methylthiopyrazine, and 2-methyl-6-methylthiopyrazine is obtained.
上流・下流製品情報
下流製品
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