2,6-Dimethylpyrazine (HCID 7938)

Überblick

2,6-Dimethylpyrazine is a member of pyrazines.

Namen und Bezeichner

Bevorzugter Name: 2,6-Dimethylpyrazine
IUPAC: 2,6-dimethylpyrazine
Lokaler Name: 2,6-Dimethylpyrazin
Englischer Name: 2,6-Dimethylpyrazine
Summenformel: C6H8N2
Molmasse: 108.14

Namen und Synonyme

2,6-DIMETHYLPYRAZINE108-50-9Pyrazine, 2,6-dimethyl-3,5-DimethylpyrazineFEMA No. 3273N77Q72C9I3DTXSID5047619RefChem:445751DTXCID3027619203-589-42,6-Dimethylpiazine2,6-Dimethylparadiazine

Weitere Namen anzeigen

FEMA 3273FEMA NUMBER 32736-DiMethylpyrazine2,6-dimethyl-pyrazin2,6-SIMETHYLPYRAZINE2.6-Dimethyl pryazine

2,6-Dimethyl-1,4-diazineMFCD000061482,6DMPCCRIS 29302,6-Dimethylpyrazine (natural)EINECS 203-589-4UNII-N77Q72C9I32,6 dimethylpyrazine

Datenbank-Bezeichner

CAS: 108-50-9
PubChem CID: 7938
DTXSID: DTXSID5047619
ChEBI: CHEBI:89791
UNII: N77Q72C9I3
EC Number: 203-589-4
Nikkaji: J1.498B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 64,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

FragrancesFragrance Ingredient (2,6-Dimethylpyrazine) -> IFRA transparency List

LogP · 2 Einträge

0.54

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

Solubility · 2 Einträge

soluble in water, organic solvents

very soluble (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-40 °C(lit.)
Siedepunkt: 154 °C · 154 °C(lit.)
Dichte: 0.965 · 0.965(50.0000℃)
FEMA: 3273 · 3273 | 2,6-DIMETHYLPYRAZINE
Brechungsindex: 1.5 · 1.5000
Flammpunkt: 127 °F · 127 °F
storage temp.: -20 °C · -20°C
Löslichkeit: Chloroform, Methanol (Slightly)
pka: 2.49 · 2.49±0.10(Predicted)
Aggregatzustand: Low Melting Crystalline Solid
Farbe: Pale yellow
PH: 7 · 7 (H2O, 20℃)
Geruch (Odor): 10 % · at 10.00 % in dipropylene glycol. ethereal cocoa nutty roasted roasted meaty beefy brown coffee buttermilk
Geruchsart: chocolate
Biologische Quelle: synthetic
Wasserlöslichkeit: Soluble in water.
JECFA Number: 767 · 767
BRN: 1726 · 1726
Henry's Law Constant: 9.8 · 9.8×10-1 mol/(m3Pa) at 25℃, Chaintreau et al. (1995)
Dielectric constant: 2.65 · 2.6499999999999999
Major Application: flavors and fragrances
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
InChI: 1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3
InChIKey: HJFZAYHYIWGLNL-UHFFFAOYSA-N
SMILES: Cc1cncc(C)n1
LogP: 0.64 · 0.64
CAS Datenbank: 108 · 108-50-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · Pyrazine, 2,6-dimethyl-(108-50-9)
EPA chemische Informationen: 2 · Pyrazine, 2,6-dimethyl- (108-50-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (94.7%): 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 1686 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Pyrazine, 2,6-dimethyl-

Regulation (EC) No 1831/2003 (amended)

2,6-Dimethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (94.7%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1325 4.1/PG 2
hs_code: 29339990
RTECS-Nr.: UQ2975000
risk_code: 10-22-37/38-41-11
hazard_code: Xn,F
safety_code: 16-26-39
hazard_class: 4.1
packing_group: III
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Sol. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 4 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPyrazine, 2,6-dimethyl-: ACTIVE

Anwendungen · 2 Einträge

OccurrenceReported found in cocoa products, coffee, diary products, peanuts, pecans, filberts, potato products, rum, whiskey, soy products, tomato puree, baked potato, cooked beef and chicken, mushroom, roasted barley, roasted pecan, tea, and Virginia tobacco; reported found in grilled beef; also a volatile flavor component of potato chips. Also reported found in cheeses, tamarind, coriander seed and corn tortilla

Verwenden2,6-Dimethylpyrazine is used Preparation of chocolate, coffee, meat and nuts and other flavors

Darstellung

synthetischeBy condensation of 1,2-diaminopropane, followed by column chromatography to separate the 2,6-methylpyrazine from the 2,5-dimethylpyrazine.