5-Ethyl-2,3-dimethylpyrazine
Basic information
- CAS
15707-34-3- Standard SMILES
CCc1cnc(C)c(C)n1- InChIKey
CIBKSMZEVHTQLG-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Overview
5-Ethyl-2,3-dimethylpyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 5-Ethyl-2,3-dimethylpyrazine
- IUPAC
- 5-ethyl-2,3-dimethylpyrazine
- English name
- 2,3-Dimethyl-5-ethylpyrazine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
5-Ethyl-2,3-dimethylpyrazine15707-34-32,3-DIMETHYL-5-ETHYLPYRAZINEPyrazine, 5-ethyl-2,3-dimethyl-ethyl dimethyl pyrazineFEMA No. 4434UNII-6496XCH56Q6496XCH56QDTXSID10166207RefChem:102543DTXCID80886982,3-Dimethyl-5-Ethyl Pyrazine
Show more names
5-Ethyl-2,3-dimethylpyrazine>2,3-Dimethyl-5-ethylpyrazine USP/EP/BP
639-047-2CIBKSMZEVHTQLG-UHFFFAOYSA-N2,3-dimethyl-6-ethylpyrazine2-ethyl-5,6-dimethylpyrazineMFCD040380595,6-Dimethyl-2-ethylpyrazine6-Ethyl-2,3-dimethylpyrazinePyrazine, 6-ethyl-2,3-dimethyl
Database identifiers
- CAS
15707-34-3- PubChem CID
- 27460
- DTXSID
DTXSID10166207- ChEMBL
CHEMBL94736- ChEBI
CHEBI:193641- UNII
- 6496XCH56Q
- EC Number
- 639-047-2
- Nikkaji
- J426.502E
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 103
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.944-0.982 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point
190.00 to 191.00 °C. @ 760.00 mm Hg
190-191 °C
Refractive Index1.494-1,502
Physical DescriptionClear colourless or pale yellow liquid; Deep roasted cocoa-like aroma
Physicochemical properties
- Boiling point
- 76 °C/15mmHg · 76°C/15mmHg(lit.)
- Density
- 0.964 · 0.964±0.06 g/cm3(Predicted)
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
H302 (29.7%): 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 128 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesAcute Tox. 4 (29.7%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 5-Ethyl-2,3-dimethylpyrazine is a member of pyrazines.
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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