Grundinformationen
- CAS
2882-20-4- Standard-SMILES
CSc1nccnc1C- InChIKey
PPPFFGVGWFKTHX-UHFFFAOYSA-N- Summenformel
- C6H8N2S
- Durchschnittliche Molmasse
- 140,21 g/mol
- Monoisotopische Masse
- 140,04081926
Überblick
2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers) is an aryl sulfide.
Namen und Bezeichner
- Bevorzugter Name
- Pyrazine, methyl(methylthio)-
- IUPAC
- 2-methyl-3-methylsulfanylpyrazine
- Lokaler Name
- Methyl(methylthio)pyrazin
- Englischer Name
- 2-Methylthio-3,5-methylpyrazine
- Summenformel
- C7H10N2S
- Molmasse
- 154.23
Namen und Synonyme
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
Weitere Namen anzeigen
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)-
Datenbank-Bezeichner
- CAS
2882-20-4、67952-65-2、68378-12-1- PubChem CID
- 76152
- DTXSID
DTXSID70863048- ChEMBL
CHEMBL97593- ChEBI
CHEBI:178124- UNII
- KI350CS0LZ
- EC Number
- 220-736-8、267-918-3、269-880-3
- Nikkaji
- J110.563I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 51,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 87,1
Experimentelle und physikochemische Eigenschaften
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
Physikochemische Eigenschaften
- Dichte
- 1.145 g/mL · 1.145 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.583(lit.)
- FEMA
- 3208 · 3208 | (METHYLTHIO)METHYLPYRAZINE (MIXTURE OF ISOMERS)
- Flammpunkt
- 193 °F · 193 °F
- Geruch (Odor)
- 0.1 % · at 0.10 % in dipropylene glycol. nutty earthy peanut musty coffee vegetable
- Geruchsart
- nutty
- Biologische Quelle
- synthetic
- JECFA Number
- 797 · 797
- Major Application
- flavors and fragrances
- 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
- InChIKey
- WVLCKAWPCLTOOS-UHFFFAOYSA-N
- SMILES
- CSc1cnc(C)cn1.CSc2nccnc2C
- LogP
- 0.06 · 0.06
- CAS Datenbank
- 67952 · 67952-65-2(CAS DataBase Reference)
- EPA chemische Informationen
- Pyrazine, methyl(methylthio)- (67952-65-2)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
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
Anwendungen
Beschreibung2-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.
Darstellung
synthetischeFrom 2-methylchloropyrazine; a mixture of 2-methyl-3-methylthiopyrazine, 2-methyl-5-methylthiopyrazine, and 2-methyl-6-methylthiopyrazine is obtained.
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