6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine
Basic information
- CAS
38917-62-3- Standard SMILES
Cc1nc2c(nc1C)CCC2- InChIKey
AIKNQWWUQFXNAZ-UHFFFAOYSA-N- Molecular formula
- C9H12N2
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.10004839
Overview
6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- 6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine
- IUPAC
- 2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
- English name
- 6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE
- Molecular weight
- 0
Names & synonyms
6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE2,3-dimethyl-6,7-dihydro-5H-cyclopentapyrazine2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyrazineFEMA No. 391738917-62-37V95I5A59RUNII-7V95I5A59RFEMA 3917DTXSID8010153692,3-Dimethyl-6,7-dihydro-5H-cyclopenta(b)pyrazine2,3-dimethyl-5H,6H,7H-cyclopenta[b]pyrazine6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine [FIFH]
Show more names
6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE [FHFI]2,3-dimethyl-5H,6H,7H-cyclopenta(b)pyrazine6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine (FIFH)RefChem:103812DTXCID10114682AIKNQWWUQFXNAZ-UHFFFAOYSA-N38917-63-4SCHEMBL18338949
Database identifiers
- CAS
38917-62-3、38917-63-4- PubChem CID
- 6428802
- DTXSID
DTXSID801015369- ChEBI
CHEBI:192291- UNII
- 7V95I5A59R
- EC Number
- 639-110-4
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in oils, organic solvents
very soluble (in ethanol)
Boiling Point66 °C (2 mm Hg)
Melting Point25 - 27 °C
Physical Description
Solid
low melting solid with a roasted nut odour
Physicochemical properties
- FEMA
- 3917 · 3917 | 6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE
- FLAVIS Number
- 14.098 · 14.098 | 6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine
- JECFA Number
- 782 · 782
- Substances Added to Food (formerly EAFUS)
- 6 · 6,7-DIHYDRO-2,3-DIMETHYL-5H-CYCLOPENTAPYRAZINE
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
5H-Cyclopentapyrazine, 6,7-dihydro-2,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported found in beef, cocoa, coffee and hazelnut.
Additional notes
DefinitionChEBI: 6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine is a member of pyrazines.
Suppliers
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Related reactions
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Compound notes
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