Basic information
- CAS
59035-98-2- Standard SMILES
Cc1nccnc1SCc1ccco1- InChIKey
PFRSWMCUERVSAT-UHFFFAOYSA-N- Molecular formula
- C10H10N2OS
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.05138412
Overview
2-Methyl-3 or 5 or 6-(furfurylthio)pyrazine (mixture of isomers) is an aryl sulfide.
Names & identifiers
- Preferred name
- 2-Methyl-3-(furfurylthio)pyrazine
- IUPAC
- 2-(furan-2-ylmethylsulfanyl)-3-methylpyrazine
- English name
- 2-Furfurylthio-3-methylpyrazine
- Molecular formula
- C10H10N2OS
- Molecular weight
- 206.26
Names & synonyms
2-Furfurylthio-3-methylpyrazine2-Methyl-3-(furfurylthio)pyrazinePyrazine, 2-[(2-furanylmethyl)thio]-3-methyl-HNN0V366HI2-(2-furylmethylsulfanyl)-3-methyl-pyrazineEINECS 261-690-9Pyrazine, 2-((2-furanylmethyl)thio)-3-methyl-2-[(furan-2-ylmethyl)sulfanyl]-3-methylpyrazineFEMA NO. 3189, 3-(FURFURYLTHIO)-FURFURYL 2-METHYL-3-PYRAZINYL SULFIDE2-((furan-2-ylmethyl)sulfanyl)-3-methylpyrazineRefChem:475323
Show more names
FEMA 31892-FURFURYLTHIO-3(5/6)-METHYL PYRAZINEFEMA NUMBER 3189FurfurylthiomethylpyrazineMETHYL(FURFURYLTHIO)PYRAZINEFURFURYLTHIO-3-METHYLPYRAZINE2-Furfurylthio-3-methylpyrazine>2-FURFURYLTHIO-3-METHYLPYRAZINE 90+%2-METHYL-3(5/6)(FURFURYLTHIO) PYRAZINE2-(2-furylmethylthio)-3-methyl-pyrazine
Pyrazine, 2-(2-furanylmethyl)thio-3-methyl-261-690-965530-53-259303-07-02-((Furan-2-ylmethyl)thio)-3-methylpyrazineMFCD000550312-(furan-2-ylmethylsulfanyl)-3-methylpyrazine2-Furfuryl thio-3(5/6)methyl pyrazine
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
Density1.138-1.148 (20 °C)
Solubility
Insoluble in water,soluble in organic solvents
Miscible at room temperature (in ethanol)
Boiling Point85-87 °C (10mmHg)
Refractive Index1.580-1.586
Physical DescriptionColourless to pale yellow liquid
Physicochemical properties
- Boiling point
- 289 · 289-299 °C(lit.)
- Density
- 1.201 g/mL · 1.201 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.599(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- 0.63 · 0.63±0.10(Predicted)
- form
- clear liquid
- color
- Light yellow to Brown
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 69.5% (89 of 128) of all reports.
Warning
H315 (30.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 128 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyrazine, 2-[(2-furanylmethyl)thio]-3-methyl-
Pyrazine, 2-(2-furanylmethyl)thio-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (30.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933.99.8210
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPyrazine, 2-[(2-furanylmethyl)thio]-3-methyl-: INACTIVE
Applications
Uses2-FURFURYLTHIO-3-METHYLPYRAZINE is used as a food flavoring, in coffee, sesame, etc.
Suppliers26 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…