3-Ethylpyridin

Pyridine, 3-ethyl- · FEMA 3394 · 5-Ethylpyridine · 3-ethyl-pyridin · 3-ethvlpvridine · 3-ETHYLPYRIDINE · FEMA NUMBER 3394 · 3-Ethylpyridine>3-ETHYLPYRIDINE 98+%

https://huagongshe.com/de/chemical/10823

Identifikatoren & physikalische Daten

CAS No.	536-78-7
Summenformel	C7H9N
Durchschnittliche Molmasse	107,15 g/mol
Monoisotopische Masse	107,07349929 g/mol
SMILES	CCc1cccnc1
InChIKey	MFEIKQPHQINPRI-UHFFFAOYSA-N
PubChem CID	10823
ChEMBL	CHEMBL23025
ChEBI	CHEBI:169025
EC No.	208-647-2
DTXSID	DTXSID6060212
Lokaler Name	3-Ethylpyridin

Chemische & physikalische Eigenschaften

XLogP	1,7
Polarare Oberfläche (TPSA)	12,9
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	8
Formalladung	0
Komplexität	61,4
SpringerMaterials Properties	Boiling point
Duftstoffe	Fragrance Ingredient (3-Ethylpyridine) -> IFRA transparency List
LogP (Verteilungskoeffizient)	1.66
Lebensmittelzusatzstoffe	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte	0.951-0.9570.954 g/mL at 25 °C (lit.)
Aromastoffe	EU Flavoring substances
Löslichkeit	370 mg/mL at 196 °CSoluble in etherSlightly soluble in waterSoluble (in ethanol)alcohol: freely soluble270.1g/L(196 ºC)
Siedepunkt	166.00 °C. @ 762.00 mm Hg166 °C163-166 °C (lit.)
Schmelzpunkt	-76.9 °C-77 °C
Brechungsindex	1.499-1.505n20/D 1.502(lit.)
Physical Description	LiquidColourless to brownish liquidTobacco aroma
FEMA	3394 \| 3-ETHYLPYRIDINE
Flammpunkt	120 °F
Aggregatzustand	clear liquid
pKa (Säurekonstante)	pK1:5.80(+1) (20°C)
Farbe	Colorless to Almost colorless
Wichte	0.954
Geruch	at 0.10 % in dipropylene glycol. tobacco oakmoss leather
Geruchsart	tobacco
Biologische Quelle	synthetic
Merck	14,3848
JECFA Number	1315
BRN	106479
Henry-Konstante	9.5×10-1 mol/(m3Pa) at 25℃, Andon et al. (1954)
Stabilität	Stable. Flammable. Incompatible with strong oxidizing agents, strong acids. May be moisture sensitive.
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
InChI	1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3
InChIKey	MFEIKQPHQINPRI-UHFFFAOYSA-N
SMILES	CCc1cccnc1
LogP (Verteilungskoeffizient)	1.66
CAS Datenbank	536-78-7(CAS DataBase Reference)
NIST chemische Informationen	3-(C2H5)-pyridine(536-78-7)
EPA chemische Informationen	3-Ethylpyridine (536-78-7)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH226 (11.4%): 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 1451 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Pyridine, 3-ethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyridine, 3-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - Pyridine, 3-ethyl-: Human health tier I assessment
Hazard Classes and Categories	Flam. Liq. 3 (11.4%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 1993 3/PG 3
Zollcode	29333990
R-Sätze (R)	10-36/37/38-34-23/24/25
Gefahrensymbole	Xi,C
Sicherheitshinweise (S)	16-26-36/37-45-36/37/39
Gefahrenklasse	3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Verpackungsgruppe	III
Lagerklasse	3 - Flammable liquids

Anwendungen & Verwendung

Occurrence

Reported found in coffee, beer, whiskey, roasted chicken, tea, oatmeal, clams, shrimp and squid, cooked chicken, dried bonito, krill, and Virginia tobacco.

Verwenden

3-Ethylpyridine was used to to identify the toxicants in cigarette smoke solutions and to determine their effective doses using in vitro bioassays.