Basic information
- CAS
23787-80-6- Standard SMILES
CC(=O)c1nccnc1C- InChIKey
QUNOTZOHYZZWKQ-UHFFFAOYSA-N- Molecular formula
- C7H8N2O
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.06366288
Overview
2-Acetyl-3-methylpyrazine is an aromatic ketone.
Names & identifiers
- Preferred name
- 2-Acetyl-3-methylpyrazine
- IUPAC
- 1-(3-methylpyrazin-2-yl)ethanone
- English name
- 2-Acetyl-3-methylpyrazine
- Molecular formula
- C7H8N2O
- Molecular weight
- 136.15
Names & synonyms
2-ACETYL-3-METHYLPYRAZINE1-(3-methylpyrazin-2-yl)ethanone1-(3-methylpyrazin-2-yl)ethan-1-oneEthanone, 1-(3-methylpyrazinyl)-2-Methyl-3-acetylpyrazine1-(3-Methylpyrazinyl)ethan-1-one3-Acetyl-2-methylpyrazineUNII-7U5TEW2Y2B7U5TEW2Y2BPyrazine, 2-acetyl-3-methylPyrazine, 3-acetyl-2-methylEthanone, 1-(3-methyl-2-pyrazinyl)-
Show more names
FEMA 3964FEMA NUMBER 39642-Acetyl-3-methylTIMTEC-BB SBB005785ACETYL METHYLPYRAZINE
1-(3-Methyl-2-pyrazinyl)ethanoneEINECS 245-889-81-[3-Methyl-2-pyrazinyl]-1-ethanoneDTXSID70669321-(3-Methylpyrazinyl)-Ethanone1-(3-Methylpyrazinyl)ethanone, 9CIMethyl (3-methylpyrazinyl) ketone, 8CI2-ACETYL-3-METHYLPYRAZINE [FHFI]
Database identifiers
- CAS
23787-80-6- PubChem CID
- 32093
- DTXSID
DTXSID7066932
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-Acetyl-3-methylpyrazine) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.105-1.114
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
265.00 to 266.00 °C. @ 760.00 mm Hg
90 °C (20 mm Hg)
Refractive Index1.521-1.523
Physical Description
Liquid
colourless to light yellow liquid with a nutty, roasted grain, baked potato odour
Physicochemical properties
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
Warning
H302 (94.8%): 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 1456 reports by companies from 14 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(3-methylpyrazinyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethanone, 1-(3-methylpyrazinyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (94.8%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-24/25
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
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 InformationEthanone, 1-(3-methyl-2-pyrazinyl)-: ACTIVE
Applications
Description2-Acetyl-3-methylpyrazine has a roasted, nutty, grain-roasted potato odor. It is one of the most important pyrazines for hazelnut or filbert nut flavors. The flavor is less burnt than most of the pyrazines.
OccurrenceReported present in cocoa, coffee, meat, clams, scallops, pork (cured, fried) and French fries.
Usesflavors and fragrances
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Related reactions
6 records
Compound notes
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