2-Isopropyl-5-methylpyrazine
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Basic information
- CAS
13925-05-8- Standard SMILES
Cc1cnc(C(C)C)cn1- InChIKey
PGTQKVQDZHXLOP-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Overview
2-Isopropyl-5-methylpyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 2-Isopropyl-5-methylpyrazine
- IUPAC
- 2-methyl-5-propan-2-ylpyrazine
- English name
- 2-Methyl-5-(1-methylethyl)pyrazine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
2-Isopropyl-5-methylpyrazine2-Methyl-5-isopropylpyrazine5-Isopropyl-2-methylpyrazinePyrazine, 2-methyl-5-(1-methylethyl)-2-methyl-5-(propan-2-yl)pyrazine2-methyl-5-isopropyl pyrazineFEMA No. 3554UNII-818RIW504V2-isopropyl-5-methyl-pyrazineFEMA 3554818RIW504V2-Methyl-5-(1-methylethyl)-Pyrazine
Show more names
Femano.39192-methyl-5-propan-2-yl-pyrazine2-METHYL-5-(1-METHYLETHYL)-PYRAZIN2-ETHYL-(5 OR 6)-METHYL PYRAZINE FEMA NO.39195-isopropyl-2-methylpyrazine,2-methyl-5-(1-methylethyl)-pyrazine
2-Methyl-5-(1-methylethyl)pyrazine, 9CIDTXSID70656775-ISOPROPYL-2-METHYLPYRAZINE [FHFI]RefChem:87734DTXCID5034513PGTQKVQDZHXLOP-UHFFFAOYSA-N13925-05-82-Methyl-5-(1-methylethyl)pyrazine
Database identifiers
- CAS
13925-05-8- PubChem CID
- 61700
- DTXSID
DTXSID7065677- ChEBI
CHEBI:193643- UNII
- 818RIW504V
- Nikkaji
- J101.205C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.977-0.984
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, soluble in oils, organic solvents
miscible at room temperature (in ethanol)
Boiling Point
190.00 °C. @ 760.00 mm Hg
190 °C
Refractive Index1.492-1.498
Physical Descriptioncolourless to slightly yellow liquid with a roasted, coffee, nutty, earthy odour
Physicochemical properties
- Boiling point
- 187.9 · 187.9±35.0 °C(Predicted)
- Density
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Pyrazine, 2-methyl-5-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2-methyl-5-(1-methylethyl)-: 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
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-methyl-5-(1-methylethyl)-: INACTIVE
Applications
OccurrenceReported found in cocoa, coffee and cooked trassi.
Uses2-Isopropyl-5-methylpyrazine is a useful research chemical, a pyrazine derivative used as a flavor ingredient.
Additional notes
DefinitionChEBI: 2-Isopropyl-5-methylpyrazine is a member of pyrazines.
Suppliers
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Related reactions
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Compound notes
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