Basic information
- CAS
25704-73-8- Standard SMILES
Cc1nccnc1C- InChIKey
OXQOBQJCDNLAPO-UHFFFAOYSA-N- Molecular formula
- C6H8N2
- Average molar mass
- 108.14 g/mol
- Monoisotopic mass
- 108.06874826
Overview
2,3-Dimethylpyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 2,3-Dimethylpyrazine
- IUPAC
- 2,3-dimethylpyrazine
- English name
- 2,3-Dimethylpyrazine
- Molecular formula
- C6H8N2
- Molecular weight
- 108.14
Names & synonyms
2,3-DIMETHYLPYRAZINE5910-89-4Pyrazine, 2,3-dimethyl-2,3-Dimethyl-1,4-diazineFEMA No. 3271WHF7883D0V2,3-DMP pyrazineDTXSID4064058RefChem:442557DTXCID3042552227-630-02,3-Dimethyl-pyrazine
Show more names
FEMA 32712,3-Dimethylpyrazine >=99.0%FEMA NUMBER 3271DIMETHYLPYRAZINES2,3-dimethyl-pyrazin2,3-Dimethyloyrazine2.3-Dimethyl pryazine
DimethylpyrazineMFCD0000614425704-73-8Pyrazine, dimethyl-CCRIS 29282,3-Dimethylpyrazine (natural)2,3-dimethyl pyrazineEINECS 227-630-0
Database identifiers
- CAS
25704-73-8、5910-89-4- PubChem CID
- 22201
- DTXSID
DTXSID4064058- ChEMBL
CHEMBL96425- ChEBI
CHEBI:193606- UNII
- WHF7883D0V
- EC Number
- 227-630-0
- Nikkaji
- J45.570I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62.9
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyrazines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (2,3-Dimethylpyrazine) -> IFRA transparency List
LogP0.54
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.997-1.030
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
155.00 to 157.00 °C. @ 760.00 mm Hg
156 °C
Vapor Pressure1.5 [mmHg]
Refractive Index1.501-1.510
Physical Description
Colorless liquid with a pleasant odor; [Alfa Aesar MSDS]
colourless to light yellow liquid with a nutty, cocoa-like odour
Physicochemical properties
- Melting point
- 11 · 11-13 °C
- Boiling point
- 156 °C · 156 °C (lit.)
- Density
- 1.011 g/mL · 1.011 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.507(lit.)
- FEMA
- 3271 · 3271 | 2,3-DIMETHYLPYRAZINE
- FLAVIS Number
- 14.05 · 14.050 | 2,3-Dimethylpyrazine
- Flash point
- 130 °F · 130 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 2.21 · 2.21±0.10(Predicted)
- form
- clear liquid
- Specific Gravity
- 1.022 · 1.022
- color
- Colorless to Light orange to Yellow
- PH
- 7 · 7 (H2O, 20℃)
- Odor
- roasted odor, reminiscent of nuts
- Odor Type
- nutty
- biological source
- synthetic
- JECFA Number
- 765 · 765
- BRN
- 107908 · 107908
- Major Application
- flavors and fragrances
- InChI
- 1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
- InChIKey
- OXQOBQJCDNLAPO-UHFFFAOYSA-N
- SMILES
- Cc1nccnc1C
- LogP
- 0.64 · 0.64
- CAS DataBase Reference
- 5910 · 5910-89-4(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2,3-DIMETHYLPYRAZINE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7883 D0V · WHF7883D0V
- NIST Chemistry Reference
- 2 · Pyrazine, 2,3-dimethyl-(5910-89-4)
- EPA Substance Registry System
- 2 · Pyrazine, 2,3-dimethyl- (5910-89-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302-H315-H318-H335
- Precautionary statements
- 210 · P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,F,Xi
- Risk Statements
- 10 · 10-22-37/38-41
- Safety Statements
- 16 · 16-26-39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 2625000 · UQ2625000
- Hazard Note
- Irritant/Flammable
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29339990 · 29339990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 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
GHS classification
GHS Classification
Warning
H226 (100%): 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 1668 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyrazine, 2,3-dimethyl-
Regulation (EC) No 1831/2003 (amended)
2,3-Dimethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UQ2625000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339990
- risk_code
- 10-22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xn,F,Xi
- hazard_note
- Irritant/Flammable
- safety_code
- 16-26-39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H302-H315-H318-H335
- 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 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2,3-dimethyl-: ACTIVE
Applications
Usesflavors and fragrances
General DescriptionThe bacterium strain DP-45, identified as Rhodococcus erythropolis, was grown on 2,3-dimethylpyrazine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Additional notes
DefinitionChEBI: 2,3-Dimethylpyrazine is a member of pyrazines.
Related reactions
14 records
Compound notes
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