Basic information
- CAS
2847-30-5- Standard SMILES
COc1nccnc1C- InChIKey
VKJIAEQRKBQLLA-UHFFFAOYSA-N- Molecular formula
- C6H8N2O
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.06366288
Overview
2-Methoxy-3-methylpyrazine is an aromatic ether and a member of pyrazines.
Names & identifiers
- Preferred name
- 2-Methoxy-3-methylpyrazine
- IUPAC
- 2-methoxy-3-methylpyrazine
- English name
- 2-Methoxy-3-methylpyrazine
- Molecular formula
- C6H8N2O
- Molecular weight
- 124.14
Names & synonyms
2-METHOXY-3-METHYLPYRAZINE2847-30-5Pyrazine, 2-methoxy-3-methyl-2-Methyl-3-methoxypyrazine04O7CN9Q85FEMA NO. 3183, 2-METHYL-3-METHOXYDTXSID80863034FEMA NO. 3280, 2-METHYL-3-METHOXY-RefChem:1063568DTXCID80811717220-651-62-Methoxy-3-methyl-pyrazine
Show more names
FEMA 3183METHYL METHOXY PYRAZINEMETHOXYMETHYLPYRAZINE2-METHOXY-3(5/6)-METHYL PYRAZINEFEMA NUMBER 31832-Methoxy-3-Methylpy2-METHYL-6-METHOXYPYRAZINE
3-Methoxy-2-methylpyrazinechocolate pyrazine A2-methoxy-3-methyl pyrazineMFCD00006127Pyrazine, 2-methoxy-3(or 5)-methyl-Pyrazine, 2-methyl-3-methoxy2-Methoxy-3(or5)-methylpyrazineUNII-04O7CN9Q85
Database identifiers
- CAS
2847-30-5、68378-13-2- PubChem CID
- 17898
- DTXSID
DTXSID80863034- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-Methoxy-3-methylpyrazine) -> IFRA transparency List
LogP
1.24
1.24
Flavoring AgentsEU Flavoring substances
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 48 · 48-52°C 10mm
- Density
- 1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.507(lit.)
- FEMA
- 3183 · 3183 | 2,5 OR 6-METHOXY-3-METHYLPYRAZINE (MIXTURE OF ISOMERS)
- FLAVIS Number
- 14.126 · 14.126 | 2-Methoxy-3-methylpyrazine
- Flash point
- 132 °F · 132 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.01 · 1.01±0.10(Predicted)
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
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 1636 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226 (98.6%): Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Regulatory Information
Chemical: Pyrazine, 2-methoxy-3-methyl-
Chemical: Pyrazine, 2-methoxy-3(or 5)-methyl-
Regulation (EC) No 1831/2003 (amended)
Pyrazine, 2-methoxy-3(or 5)-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyrazine, 2-methoxy-3(or 5)-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Pyrazine, 2-methoxy-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Pyrazine, 2-methoxy-3(or 5)-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pyrazine, 2-methoxy-3-methyl-: Environment tier I assessment
Hazard Classes and Categories
Flam. Liq. 3 (98.6%)
Flam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
U.S. Production2021: 6 lb
Consumer UsesFragrance
Use ClassificationFragrance Ingredients
General Manufacturing Information
Pyrazine, 2-methoxy-3-methyl-: ACTIVE
Pyrazine, 2-methoxy-3(or 5)-methyl-: ACTIVE
Applications
OccurrenceReported found in sherry and krill.
Usesflavors and fragrances
General DescriptionLowest observable adverse effect levels of 2-methoxy-3-methylpyrazine which inhibits ciliary beat frequency, oocyte pickup rate and infundibular smooth muscle contraction in the hamster oviduct has been evaluated.
Preparation methods
PreparationFrom 2-methylpyrazine by various routes.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
2 records
Compound notes
Loading…