Basic information
- CAS
38713-41-6- Standard SMILES
C=C(C)c1cnccn1- InChIKey
JMKUTMOIKCXELD-UHFFFAOYSA-N- Molecular formula
- C7H8N2
- Average molar mass
- 120.15 g/mol
- Monoisotopic mass
- 120.06874826
Overview
(1-Methylethenyl)pyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- Isopropenyl pyrazine
- IUPAC
- 2-prop-1-en-2-ylpyrazine
- English name
- (1-Methylene-ethyl)pyrazine
- Molecular formula
- C7H8N2
- Molecular weight
- 120.15
Names & synonyms
Isopropenylpyrazine38713-41-62-IsopropenylpyrazinePyrazine, (1-methylethenyl)-2-prop-1-en-2-ylpyrazineISOPROPENYL PYRAZINEFEMA No. 32962-(1-Methylvinyl)pyrazinePyrazine, 2-(1-methylethenyl)-2-Isopropenyl-1,4-diazine2-(alpha-Methylvinyl)pyrazinePrazine, (1-methylethenyl)-
Show more names
FEMA 32961-Methylethenylpyrazine(1-Methylene-ethyl)pyrazine
D901VJ3P4X(.ALPHA.-METHYLVINYL)PYRAZINEDTXSID2068135ISOPROPENYLPYRAZINE [FHFI]Caramel pyrazineRefChem:7920951-(Methyl ethenyl)pyrazine2-(1-Methyl vinyl) pyrazine
Database identifiers
- CAS
38713-41-6- PubChem CID
- 62897
- DTXSID
DTXSID2068135- ChEBI
CHEBI:193692- UNII
- D901VJ3P4X
- EC Number
- 662-720-7
- Nikkaji
- J101.078F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.964-0.968
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Refractive Index1.480-1.486
Physical DescriptionColourless to pale orange liquid; Caramel like nutty roasted aroma
Physicochemical properties
- Boiling point
- 173.5 · 173.5±20.0 °C(Predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- FEMA
- 3296 · 3296 | ISOPROPENYLPYRAZINE
- pka
- 0.54 · 0.54±0.10(Predicted)
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. caramellic chocolate nutty roasted
- Odor Type
- caramellic
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Pyrazine, (1-methylethenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, (1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPyrazine, 2-(1-methylethenyl)-: ACTIVE
Applications
DescriptionSynthesized by alkylation of the Mannich base obtained by reacting formaldehyde and dimethylamine with ethylpyrazine, followed by the Hoffmann degradation.
OccurrenceReported found in fried chicken, cocoa, roasted peanuts, peanut butter, oat groats, toasted sesame seeds and malt
Preparation methods
PreparationBy alkylation of the Mannich base obtained by reacting formaldehyde and dimethylamine with ethylpyrazine, followed by the Hoffmann degradation
Suppliers8 total
杭州品高化工有限公司0571-87658025 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
BOC Sciences
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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