3-Ethyl-4-methylpyridin

3-Ethyl-4-methylpyridine

HCID 68254CAS 529-21-5

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Grundinformationen

Standard-SMILES: CCc1cnccc1C
InChIKey: JDQNYWYMNFRKNQ-UHFFFAOYSA-N
Summenformel: C8H11N
Durchschnittliche Molmasse: 121,18 g/mol
Monoisotopische Masse: 121,08914935

Namen und Bezeichner

Bevorzugter Name: 3-Ethyl-4-methylpyridine
IUPAC: 3-ethyl-4-methylpyridine
Lokaler Name: 3-Ethyl-4-methylpyridin
Englischer Name: 3-ETHYL-4-METHYLPYRIDINE
Summenformel: C8H11N
Molmasse: 121.18

Namen und Synonyme

3-Ethyl-4-methylpyridine529-21-53-Ethyl-4-picolinePyridine, 3-ethyl-4-methyl-UNII-4I7CCZ440O4I7CCZ440OEINECS 208-453-8NSC-62016AI3-16615.beta.-Ethyl-.gamma.-picolineDTXSID10601823-ETHYL-4-PICOLINE [MI]

Weitere Namen anzeigen

B-COLLIDINE3-ETHYL-G-PICOLINE3-Ethyl-γ-picoline4-Picoline, 3-ethyl-3-Ethyl-gamma-picoline

RefChem:93836beta-Ethyl-gamma-picolineDTXCID9041316InChI=1/C8H11N/c1-3-8-6-9-5-4-7(8)2/h4-6H,3H2,1-2HJDQNYWYMNFRKNQ-UHFFFAOYSA-Nbeta-Collidine4-Methyl-3-ethylpyridine.beta.-Collidine

Datenbank-Bezeichner

CAS: 529-21-5
PubChem CID: 68254
DTXSID: DTXSID1060182
UNII: 4I7CCZ440O
EC Number: 208-453-8
Nikkaji: J6.681H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 80,6

Physikochemische Eigenschaften

Schmelzpunkt: 6 · 6-8C
Siedepunkt: 195 · 195-196°C
Dichte: 0 · 0,936g/cm
Brechungsindex: 1 · 1,465
Flammpunkt: 195 · 195-196°C
storage temp.: 2 · 2-8°C
pka: 6.25 · 6.25±0.18(Predicted)
LogP: 2.18 · 2.180 (est)
CAS Datenbank: 529 · 529-21-5(CAS DataBase Reference)
EPA chemische Informationen: 3 · Pyridine, 3-ethyl-4-methyl- (529-21-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: Pyridine, 3-ethyl-4-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Sicherheitsdaten

tsca: TSCA listed
ridadr: 1760
risk_code: 20/21/22-36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
hazard_class: 8
packing_group: III

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPyridine, 3-ethyl-4-methyl-: INACTIVE

Anwendungen · 1 Eintrag

BeschreibungThis alkyl-substituted Pyridine has been suggested for usc in perfume compositions of the non-floral character. It blends excellently with Oakmoss and Vetiver, the earthy-mossy notes of which it will support and modify in a pleasant manner, and it produces new shades of Fougere with Amylsalicylate, Cedarwood, Lavender, Amylvinylcarbinol etc.