Basic information
- CAS
15707-24-1- Standard SMILES
CCc1nccnc1CC- InChIKey
GZXXANJCCWGCSV-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004838
Overview
2,3-Diethylpyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 2,3-Diethylpyrazine
- IUPAC
- 2,3-diethylpyrazine
- English name
- 2,3-Diethylpyrazine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
2,3-DIETHYLPYRAZINEPyrazine, 2,3-diethyl-shoyu pyrazineFEMA No. 3136DTXSID6047101UNII-AD31A42VY0EINECS 239-800-1AD31A42VY0DTXCID40271012,3-Diethyl-pyrazineFEMA 31362,3-DIETHYLPYRAZINE [FHFI]
Show more names
FEMA NUMBER 31362,3-diethyl-pyrazinDIETHYLPYRAZINE,2,3-2.3-Diethyl pryazine2,3-Diethylpyrazine>
23-Diethyl-pyrazineRefChem:81632239-800-1GZXXANJCCWGCSV-UHFFFAOYSA-N15707-24-1Pyrazine, diethyl-MFCD000061512,3-Diethyl
Database identifiers
- CAS
15707-24-1- PubChem CID
- 27458
- DTXSID
DTXSID6047101- ChEMBL
CHEMBL327303- ChEBI
CHEBI:166525- UNII
- AD31A42VY0
- EC Number
- 239-800-1
- Nikkaji
- J208.374D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81.3
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2,3-Diethylpyrazine) -> IFRA transparency List
LogP
1.51
1.51
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.956-0.976
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, soluble in oils, organic solvents
miscible at room temperature (in ethanol)
Boiling Point
180.00 to 182.00 °C. @ 760.00 mm Hg
180 °C
Refractive Index1.492-1.509
Physical Descriptioncolourless to slightly yellow liquid with an earthy, nutty, baked potato odour
Physicochemical properties
- Boiling point
- 180 · 180-182 °C (lit.)
- Density
- 0.963 g/mL · 0.963 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5(lit.)
- FEMA
- 3136 · 3136 | 2,3-DIETHYLPYRAZINE
- FLAVIS Number
- 14.005 · 14.005 | 2,3-Diethylpyrazine
- Flash point
- 159 °F · 159 °F
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 2.16 · 2.16±0.10(Predicted)
- color
- Colorless to Light yellow
- Specific Gravity
- 0.963 · 0.963
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. raw nutty green pepper
- Odor Type
- nutty
- biological source
- synthetic
- JECFA Number
- 771 · 771
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
- InChIKey
- GZXXANJCCWGCSV-UHFFFAOYSA-N
- SMILES
- CCc1nccnc1CC
- LogP
- 1.7 · 1.70
- CAS DataBase Reference
- 15707 · 15707-24-1(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2,3-DIETHYLPYRAZINE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 31 A42VY0 · AD31A42VY0
- NIST Chemistry Reference
- 2 · 2,3-Diethylpyrazine(15707-24-1)
- EPA Substance Registry System
- 2 · Pyrazine, 2,3-diethyl- (15707-24-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 37 · 37/38-41
- Safety Statements
- 26 · 26-39
- RIDADR
- 3334 · UN 3334
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29339900 · 29339900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.2%): 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 1599 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pyrazine, 2,3-diethyl-
Regulation (EC) No 1831/2003 (amended)
Pyrazine, 2,3-diethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pyrazine, 2,3-diethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (97.2%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3334
- hs_code
- 29339900
- risk_code
- 37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2,3-diethyl-: ACTIVE
Applications
OccurrenceReported found in baked potato, mushrooms, cocoa, roasted filberts, malt and shoyu (fermented soya hydrolysate).
Uses2,3-Diethylpyrazine is used in method for preparing coffee extracts for cigarette using aroma backfilling agents.
General Description2,3-Diethylpyrazine is naturally present in tobacco and has been added to tobacco as flavor ingredients. Interaction of 2,3-diethylpyrazine (a volatile flavor compound) with propyl gallate has been investigated.
Preparation methods
PreparationBy condensation of 3,4-hexanedione with ethylenediamine
Upstream & downstream products
Upstream raw materials
Suppliers100 total
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Additional notes
DefinitionChEBI: 2,3-Diethylpyrazine is a member of pyrazines.
Related reactions
1 records
Compound notes
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