2,3,5-Trimethylpyrazin

Trimethylpyrazine

HCID 26808CAS 14667-55-1
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Grundinformationen

Standard-SMILES
Cc1cnc(C)c(C)n1
InChIKey
IAEGWXHKWJGQAZ-UHFFFAOYSA-N
Summenformel
C7H10N2
Durchschnittliche Molmasse
122,17 g/mol
Monoisotopische Masse
122,08439832

Überblick

Trimethylpyrazine is a member of the class of pyrazines that is pyrazine in which three hydrogens at positions 2, 3 and 5 have been replaced by methyl groups. It has a role as a pheromone, a flavouring agent, an animal metabolite, a plant metabolite and a bacterial metabolite.

Namen und Bezeichner

Bevorzugter Name
Trimethylpyrazine
IUPAC
2,3,5-trimethylpyrazine
Lokaler Name
2,3,5-Trimethylpyrazin
Englischer Name
2,3,5-Trimethylpyrazine
Summenformel
C7H10N2
Molmasse
122.17

Namen und Synonyme

2,3,5-Trimethylpyrazine14667-55-1TRIMETHYLPYRAZINEPyrazine, trimethyl-2,3,5-Trimethyl pyrazine2,3,6-TrimethylpyrazineFEMA No. 3244DTXSID1047075Q8PR0W8TITDTXCID9027075CHEBI:190131RefChem:441845
Weitere Namen anzeigen
FEMA 32442,3,5-TriMethylpyrazine 99%FEMA NUMBER 3244Compound Fr14500trimethyl-pyrazin2.3.5-Methyl pyrazine
238-712-0Pyrazine, 2,3,5-trimethyl-Trimethyl-pyrazinetrimethyl pyrazineMFCD00006145Pyrazine, 2,3,5-trimethylCCRIS 2932EINECS 238-712-0

Datenbank-Bezeichner

CAS
14667-55-1
PubChem CID
26808
DTXSID
DTXSID1047075
ChEMBL
CHEMBL320146
ChEBI
CHEBI:190131
UNII
Q8PR0W8TIT
EC Number
238-712-0
Nikkaji
J27.872F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
25,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (2,3,5-Trimethylpyrazine) -> IFRA transparency List
LogP · 2 Einträge

0.95

0.95

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.960-0.990
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

soluble in water, oils, organic solvents

miscible at room temperature (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt
156 °C · 156 °C
Siedepunkt
171 · 171-172 °C (lit.)
Dichte
0.979 g/mL · 0.979 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.5040(lit.)
FEMA
3244 · 3244 | 2,3,5-TRIMETHYLPYRAZINE
Flammpunkt
130 °F · 130 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H226 (99.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1880 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Pyrazine, trimethyl-

Regulation (EC) No 1831/2003 (amended)

Pyrazine, 2,3,5-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyrazine, 2,3,5-trimethyl- 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, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 3 (99.7%)

Flammable liquids - Category 3

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29339900
RTECS-Nr.
UQ3907000
risk_code
10-22-36/37/38

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

U.S. Production2021: 26 lb
Consumer UsesFragrance
Household ProductsInformation on 1 consumer products that contain Trimethylpyrazine in the following categories is provided:
Use Classification · 3 Einträge

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPyrazine, 2,3,5-trimethyl-: ACTIVE
Anwendungen · 2 Einträge

OccurrenceReported present in bakery products, roasted barley, cocoa products, coffee, dairy products, meat, peanuts, filberts, pecans, popcorn, potato products, rum and whiskey, soy products, raw asparagus, baked potato, wheaten bread, crispbread, Swiss cheese, coffee, black tea, green tea, roasted barley, roasted filbert, heated beef, roasted peanut, soybean, raw beans, coriander seed, scallop, guava, kohlrabi, bell pepper, blue, Swiss and Gruyere cheese, boiled egg, fatty fish, beer, sherry, barley, peanut, oat products, coconut, beans, mushroom, trassi, almond, macadamia nut, sesame seed, coriander seed, rice, licorice, sweet corn, malt, peated malt, wort, krill, fermented shrimp, crab, okra, crayfish, clam, scallop and squid.

VerwendenTrimethylpyrazine is a key aroma compound of dark chocolates differing in organoleptic properties.

Darstellung

synthetischeFrom 2,5-dimethylpyrazine by ring alkylation with MeLi; by condensing propylenediamine with 2,3-butanedione.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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