1-(3,5-Dimethylpyrazinyl)ethan-1-on

2-Acetyl-3,5-dimethylpyrazine

HCID 104721
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Grundinformationen

CAS
54300-08-2
Standard-SMILES
CC(=O)c1ncc(C)nc1C
InChIKey
UCGOSAWBWFUKDT-UHFFFAOYSA-N
Summenformel
C8H10N2O
Durchschnittliche Molmasse
150,18 g/mol
Monoisotopische Masse
150,07931294

Überblick

2-Acetyl-3,5-dimethylpyrazine is an aromatic ketone.

Namen und Bezeichner

Bevorzugter Name
2-Acetyl-3,5-dimethylpyrazine
IUPAC
1-(3,5-dimethylpyrazin-2-yl)ethanone
Lokaler Name
1-(3,5-Dimethylpyrazinyl)ethan-1-on
Englischer Name
2-Acetyl-3,5-dimethylpyrazine
Summenformel
C8H10N2O
Molmasse
150.18

Namen und Synonyme

2-Acetyl-3,5-dimethylpyrazineEthanone, 1-(3,5-dimethylpyrazinyl)-1-(3,5-dimethylpyrazin-2-yl)ethan-1-one1-(3,5-Dimethylpyrazinyl)ethan-1-oneUNII-RES1FSY5Z7RES1FSY5Z7EINECS 259-076-0Ethanone, 1-(3,5-dimethyl-2-pyrazinyl)-Pyrazine, 2-acetyl-3,5-dimethyl1-(3,5-Dimethyl-2-pyrazinyl)ethanone1-(3,5-Dimethyl-2-pyrazinyl)-1-ethanoneDTXSID1068938
Weitere Namen anzeigen
FEMA 33271-(3,5-Dimethylpyrazin-2-yl)ethanone2-ACETYL-3,5(OR 6)-DIMETHYLPYRAZINEFEMA NUMBER 33272-Acetyl-3,5-diMethy2-ACETYL-3,5-DIMETHYLPRAZINE
1-(3,5-Dimethylpyrazinyl)-EthanoneFEMA NO. 3327, 5-METHYL-1-(3,5-Dimethyl-2-pyrazinyl)-Ethanone1-(3,5-Dimethylpyrazinyl)ethanone, 9CIRefChem:84967DTXCID20416762-Acetyl-3,5(6)-dimethylpyrazineUCGOSAWBWFUKDT-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS
54300-08-2
PubChem CID
104721
DTXSID
DTXSID1068938
ChEBI
CHEBI:173403
UNII
RES1FSY5Z7
EC Number
259-076-0
Nikkaji
J266.851C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
42,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Flavoring AgentsEU Flavoring substances
Boiling Point70.00 °C. @ 7.00 mm Hg

Physikochemische Eigenschaften

Siedepunkt
70 °C7 · 70 °C7 mm Hg(lit.)
Dichte
1.073 g/mL · 1.073 g/mL at 25 °C(lit.)
Dampfdruck
3 mm · 3 mm Hg ( 20 °C)
FEMA
3327 · 3327 | 2-ACETYL-3,5(AND 6)-DIMETHYLPYRAZINE
Brechungsindex
20 · n20/D 1.517(lit.)
Flammpunkt
195 °F · 195 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 6.3% (90 of 1421) of reports.

Warning

H302 (90.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1421 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Ethanone, 1-(3,5-dimethylpyrazinyl)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Ethanone, 1-(3,5-dimethylpyrazinyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (90.6%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
2933998090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

General Manufacturing InformationEthanone, 1-(3,5-dimethyl-2-pyrazinyl)-: INACTIVE

Anwendungen

OccurrenceReported found in coffee

Darstellung

synthetischeFrom the corresponding dimethyl-ethylpyrazine by bromination, followed by oxidation to the ketone

Anbieter100 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
济南远泽生物科技有限公司15063396929; 15063396929
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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CAS 54300-08-2 2-Acetyl-3,5-dimethylpyrazine (HCID 104721)｜Huagongshe