2,5-Diethyl-3-methylpyrazine
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Basic information
- CAS
32736-91-7- Standard SMILES
CCc1cnc(CC)c(C)n1- InChIKey
RJIREWQSLPRZFG-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Overview
2,5-Diethyl-3-methylpyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 2,5-Diethyl-3-methylpyrazine
- IUPAC
- 2,5-diethyl-3-methylpyrazine
- English name
- Pyrazine, 2,5-diethyl-3-methyl- (8CI,9CI)
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
2,5-DIETHYL-3-METHYLPYRAZINE32736-91-7Pyrazine, 2,5-diethyl-3-methyl-N079TRL8P5FEMA NO. 3915DTXSID701864062,5-DIETHYL-3-METHYL-1,4-DIAZINE2,5-DIETHYL-3-METHYLPYRAZINE [FHFI]RefChem:444371DTXCID40108897639-092-8Pyrazine, 2,5-diethyl-3-methyl- (8CI,9CI)
Show more names
3,6-diethyl-2-methylpyrazine2,5-diethyl-3-methyl pyrazineUNII-N079TRL8P5SCHEMBL1426102FEMA 3915CHEBI:193681MFCD183777992,5-DIETHYL-3-METHYL-PYRAZINE
Database identifiers
- CAS
32736-91-7- PubChem CID
- 36225
- DTXSID
DTXSID70186406- ChEBI
CHEBI:193681- UNII
- N079TRL8P5
- EC Number
- 639-092-8
- Nikkaji
- J855.272J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.944-0.954
Flavoring AgentsEU Flavoring substances
Solubility
slightly
moderately soluble in water; soluble in oils, organic solvents
miscible at room temperature (in ethanol)
Boiling Point
95.00 °C. @ 14.00 mm Hg
95 °C (14 mm Hg)
Refractive Index1.4922-1.5022
Physical Descriptioncolourless to light yellow liquid with a toasted hazelnut, meaty odour
Physicochemical properties
- FEMA
- 3915 · 3915 | 2,5-DIETHYL-3-METHYLPYRAZINE
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 91 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2,5-diethyl-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported found in potato, beef, pork, cocoa, coffee, tea, peanut butter, sesame seed, soybean and wild rice
Additional notes
DefinitionChEBI: 2,5-Diethyl-3-methylpyrazine is a member of pyrazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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