Basic information
- CAS
15707-23-0- Standard SMILES
CCc1nccnc1C- InChIKey
LNIMMWYNSBZESE-UHFFFAOYSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.17 g/mol
- Monoisotopic mass
- 122.08439832
Overview
2-Ethyl-3-methylpyrazine, 9CI is a member of pyrazines.
Names & identifiers
- Preferred name
- 2-Ethyl-3-Methylpyrazine
- IUPAC
- 2-ethyl-3-methylpyrazine
- English name
- 2-Ethyl-3-methylpyrazine
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
2-ETHYL-3-METHYLPYRAZINEPyrazine, 2-ethyl-3-methyl-2-Methyl-3-ethylpyrazineFEMA No. 31552-Ethyl-3-methylpyrazine, 9CIDTXSID4047464BRN 0956775EINECS 239-799-8UNII-9GF35MK66U9GF35MK66UFEMA 31552-Methyl-3-ethyl pyrazine
Show more names
3-METHYL-2-ETHYLPYRAZINE3-ETHYL-2-METHYLPYRAZINEFEMA NUMBER 3155filbert pyrazineEthyl-3-Methylpyraz2-Ethyl-3-Methylpyra
5-23-05-00418 (Beilstein Handbook Reference)DTXCID20274642-ETHYL-3-METHYLPYRAZINE [FCC]2-ETHYL-3-METHYL-1,4-PYRAZINE2-ETHYL-3-METHYLPYRAZINE [FHFI]RefChem:86891239-799-8LNIMMWYNSBZESE-UHFFFAOYSA-N
Database identifiers
- CAS
15707-23-0- PubChem CID
- 27457
- DTXSID
DTXSID4047464- ChEMBL
CHEMBL3187840- ChEBI
CHEBI:193620- UNII
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (2-Ethyl-3-methylpyrazine) -> IFRA transparency List
LogP
1.07
1.07
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.972-0.993
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, organic solvents
miscible at room temperature (in ethanol)
Boiling Point
57.00 °C. @ 10.00 mm Hg
57 °C (10 mm Hg)
Refractive Index1.499-1.509
Physical Descriptioncolourless to slightly yellow liquid with a strong raw potato odour
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (96.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1687 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyrazine, 2-ethyl-3-methyl-
Regulation (EC) No 1831/2003 (amended)
REACH registered substance: 2-ethyl-3-methylpyrazine (EC: 239-799-8)
Pyrazine, 2-ethyl-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pyrazine, 2-ethyl-3-methyl-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (96.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UQ3335000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,Xi
- hazard_note
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-ethyl-3-methyl-: ACTIVE
Applications
OccurrenceReported found in bakery products, roasted barley, coffee, peanuts, filberts, potato products, soy products, roasted and fried chicken, beef, pork, beer, rum, cocoa, coffee, tea, malt, shrimp and crayfish.
Uses2-Ethyl-3-methylpyrazine is used in preparation of Chinese chestnut pyrolyzate and their application to e-cigarette.
UsesFood additive.
Preparation methods
PreparationBy condensation of ethylenediamine with 2,3-pentanedione.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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