Grundinformationen
- Standard-SMILES
Cc1nccnc1CC(C)C- InChIKey
ZHMIODDNZRIENW-UHFFFAOYSA-N- Summenformel
- C9H14N2
- Durchschnittliche Molmasse
- 150,22 g/mol
- Monoisotopische Masse
- 150,11569845
Überblick
2-Methyl-3-(2-methylpropyl)pyrazine is a member of pyrazines.
Namen und Bezeichner
- Bevorzugter Name
- 2-Isobutyl-3-methyl pyrazine
- IUPAC
- 2-methyl-3-(2-methylpropyl)pyrazine
- Lokaler Name
- 2-Methyl-3-(2-methylpropyl)pyrazin
- Englischer Name
- 2-ISOBUTYL-3-METHYLPYRAZINE
- Summenformel
- C9H14N2
- Molmasse
- 150.22
Namen und Synonyme
2-ISOBUTYL-3-METHYLPYRAZINE13925-06-92-Methyl-3-(2-methylpropyl)pyrazine2-isobutyl-3-methyl pyrazine2-Methyl-3-isobutylpyrazinePyrazine, 2-methyl-3-(2-methylpropyl)-FEMA No. 3133Pyrazine, 2-isobutyl-3-methyl-11EP4V0M9ZDTXSID2065678EINECS 237-693-62-ISOBUTYL-3-METHYL PYRAZINE [FHFI]
Weitere Namen anzeigen
FEMA 3133Pyrazine, 2-mFEMA NUMBER 31332-Isobuthyl-3-methyl pyrazine2-Isobutyl-3-methylpyrazine>2-Isobutyl-3-isopropyl pyrazine2-ISOBUTYL-3-METHYLPYRAZINE 98+%2-ISOBUTYL-3-METHYLPYRAZINE 99+%
ZHMIODDNZRIENW-UHFFFAOYSA-PYRAZINE, 2-METHYL-3-(2-METHYLPROPYL)RefChem:473807DTXCID00345142-(2-Methylpropyl)-3-methylpyrazine237-693-6InChI=1/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H32-Isobutyl-3-methyl-pyrazine
Datenbank-Bezeichner
- CAS
13925-06-9- PubChem CID
- 26333
- DTXSID
DTXSID2065678- ChEMBL
CHEMBL95102- ChEBI
CHEBI:193682- UNII
- 11EP4V0M9Z
- EC Number
- 237-693-6
- Nikkaji
- J149.483J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 112
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (2-Isobutyl-3-methylpyrazine) -> IFRA transparency List
LogP
1.96
1.96
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.936-0.942
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, oils, organic solvents
miscible at room temperature (in ethanol)
Boiling Point
199.00 to 201.00 °C. @ 760.00 mm Hg
199 °C
Refractive Index1.488-1.498
Physical Descriptioncolourless to slightly yellow liquid with a green, earthy, celery odour
Physikochemische Eigenschaften
- Schmelzpunkt
- 74 °C · 74 °C
- Siedepunkt
- 199 °C · 199 °C(lit.)
- Dichte
- 0.942 g/mL · 0.942 g/mL at 25 °C(lit.)
- FEMA
- 3133 · 3133 | 2-ISOBUTYL-3-METHYLPYRAZINE
- Brechungsindex
- 20 · n20/D 1.492(lit.)
- Flammpunkt
- 180 °F · 180 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- 1.88 · 1.88±0.10(Predicted)
- Farbe
- Colorless to Orange to Green
- Geruch (Odor)
- 0.1 % · at 0.10 % in dipropylene glycol. herbal green sugar syrup
- Geruchsart
- caramellic
- JECFA Number
- 773 · 773
- LogP
- 1.96 · 1.96
- CAS Datenbank
- 13925 · 13925-06-9(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Pyrazine, 2-methyl-3-(2-methylpropyl)- (13925-06-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 97.8% (90 of 92) of all reports.
Not Classified
Aggregated GHS information provided per 92 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Pyrazine, 2-methyl-3-(2-methylpropyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2-methyl-3-(2-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- safety_code
- 24/25
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-methyl-3-(2-methylpropyl)-: ACTIVE
Anwendungen
BeschreibungSynthesis: By condensation of ethylenediamine with 5-methyl- 2,3-hexanedione.
OccurrenceReported present in coffee, potato products, cooked beef, fried cured pork and roasted peanuts.
Darstellung
synthetischeBy condensation of ethylenediamine with 5-methyl-2,3-hexandione
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