Completing data — usually done within a minute
Basic information
- Standard SMILES
CCc1cnccn1- InChIKey
KVFIJIWMDBAGDP-UHFFFAOYSA-N- Molecular formula
- C6H8N2
- Average molar mass
- 108.144 g/mol
- Monoisotopic mass
- 108.06874826
Names & identifiers
- Preferred name
- Ethylpyrazine
- IUPAC
- 2-Ethylpyrazine
- English name
- Ethylpyrazine
- Molecular formula
- C6H8N2
- Molecular weight
- 108.14
Names & synonyms
2-ETHYLPYRAZINEPyrazine, ethyl-FEMA 3281ethyl-pyrazinETHYLPYRAZINEFEMA NUMBER 3281ETHYLPYRAZINE, 2-Ethylpyrazine,98%2-Ethylpyrazine>Pyrazine, 2-ethyl-
Database identifiers
- CAS
1392-50-3、13925-00-3- PubChem CID
- 26331
- DTXSID
DTXSID2065676- ChEMBL
CHEMBL97525- ChEBI
CHEBI:73232- UNII
- 0QO4LUV16Z
- EC Number
- 237-691-5
- Nikkaji
- J27.869F
Properties
Physicochemical properties
- Melting point
- 155 °C · 155 °C
- Boiling point
- 152 · 152-153 °C (lit.)
- Density
- 0.984 g/mL · 0.984 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.498(lit.)
- FEMA
- 3281 · 3281 | 2-ETHYLPYRAZINE
- FLAVIS Number
- 14.022 · 14.022 | Ethylpyrazine
- Flash point
- 109 °F · 109 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- freely soluble
- form
- Liquid
- pka
- 1.62 · 1.62±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 0.984 · 0.984
- Odor
- 1 % · at 1.00 % in dipropylene glycol. peanut butter musty nutty woody roasted cocoa
- Odor Type
- nutty
- biological source
- synthetic
- Water Solubility
- freely soluble
- JECFA Number
- 762 · 762
- BRN
- 108200 · 108200
- Henry's Law Constant
- 4 · 4.0×100 mol/(m3Pa) at 25℃, Buttery et al. (1971)
- InChI
- 1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
- InChIKey
- KVFIJIWMDBAGDP-UHFFFAOYSA-N
- SMILES
- CCc1cnccn1
- LogP
- 0.69 · 0.69
- CAS DataBase Reference
- 13925 · 13925-00-3(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2-ETHYLPYRAZINE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 QO4LUV16Z · 0QO4LUV16Z
- NIST Chemistry Reference
- Pyrazine, ethyl-(13925-00-3)
- EPA Substance Registry System
- Pyrazine, ethyl- (13925-00-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P301+P312
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 10 · 10-41-37/38-22
- Safety Statements
- 16 · 16-39-26
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 3330000 · UQ3330000
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29339990 · 29339990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralFlam · Acute Tox. 4 OralFlam. Liq. 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UQ3330000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339990
- risk_code
- 10-41-37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 16-39-26
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241-P242-P301+P312
Chemistry & industry
Applications
OccurrenceReported found in bakery products, cocoa products, coffee, meat, peanuts, filberts, potato products, beer, whiskey, tea, soybeans, rice, roasted coconut, corn tortillas, shrimp, crayfish, asparagus, boiled beef, malt whiskey, and malt
UsesEthylpyrazine has been used in the synthesis of pyrazinoic acid.
UsesEthylpyrazine is a reagent used in the synthetic preparation of various pharmaceutical goods and has been screened for potential activities as H1-antihistamine.
General Description2-Ethylpyrazine is a volatile aroma compound that is mainly formed in food products such as roasted coffee beans or roasted sesame seeds due to the Maillard reaction between sugars and proteins during the roasting process.
Preparation methods
PreparationBy alkylation of methylpyrazine with methyliodide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Additional notes
DefinitionChEBI: A member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by an ethyl group. Found particularly in cereals and cereal products, it is present in baked or fried potato, bread, roasted peanuts, and cooked shrimp, as well a cocoa, coffee, and tea. It has a musty, nutty, buttery, peanut odor and a chocolate-peanut taste.
Related reactions
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