Basic information
- CAS
2882-20-4- Standard SMILES
CSc1nccnc1C- InChIKey
PPPFFGVGWFKTHX-UHFFFAOYSA-N- Molecular formula
- C6H8N2S
- Average molar mass
- 140.21 g/mol
- Monoisotopic mass
- 140.04081926
Overview
2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers) is an aryl sulfide.
Names & identifiers
- Preferred name
- Pyrazine, methyl(methylthio)-
- IUPAC
- 2-methyl-3-methylsulfanylpyrazine
- English name
- 2-Methylthio-3,5-methylpyrazine
- Molecular formula
- C7H10N2S
- Molecular weight
- 154.23
Names & synonyms
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
Show more names
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)-
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Experimental & physicochemical properties
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
Physicochemical properties
- Density
- 1.145 g/mL · 1.145 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.583(lit.)
- FEMA
- 3208 · 3208 | (METHYLTHIO)METHYLPYRAZINE (MIXTURE OF ISOMERS)
- FLAVIS Number
- 14.035 · 14.035 | 2-Methyl-3,5 or 6-methylthiopyrazine
- Flash point
- 193 °F · 193 °F
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. nutty earthy peanut musty coffee vegetable
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
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
Applications
Description2-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.
Preparation methods
PreparationFrom 2-methylchloropyrazine; a mixture of 2-methyl-3-methylthiopyrazine, 2-methyl-5-methylthiopyrazine, and 2-methyl-6-methylthiopyrazine is obtained.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…