4-(4-Methyl-3-pentenyl)cyclohex-3-en-1-carbonitril

Einecs 244-530-2 · 1-(4-Methyl-3-pentene)cyclohex-1-ene-4-nitrile · 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carbonitrile · 4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile · 3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-pentenyl)- · 3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-penten-1-yl)-

https://huagongshe.com/de/chemical/89014

Molekülstruktur von 4-(4-Methyl-3-pentenyl)cyclohex-3-en-1-carbonitril

Identifikatoren & physikalische Daten

CAS No.	21690-43-7
Summenformel	C13H19N
Durchschnittliche Molmasse	189,3 g/mol
Monoisotopische Masse	189,15174961 g/mol
SMILES	CC(C)=CCCC1=CCC(C#N)CC1
InChIKey	YLVMNUKZYAGOOK-UHFFFAOYSA-N
PubChem CID	89014
EC No.	244-530-2
DTXSID	DTXSID90865009
Lokaler Name	4-(4-Methyl-3-pentenyl)cyclohex-3-en-1-carbonitril

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	23,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	3
Schwere Atome	14
Formalladung	0
Komplexität	284
Duftstoffe	Fragrance Ingredient (3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-pentenyl)-) -> IFRA transparency List
Siedepunkt	115-120 °C(Press: 1 Torr)
Dichte	0.9191 g/cm3(Temp: 25 °C)
EPA chemische Informationen	3-Cyclohexene-1-carbonitrile, 4-(4-methyl-3-pentenyl)- (21690-43-7)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 70.6% (89 of 126) of all reports.H411 (29.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 126 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Aquatic Chronic 2 (29.4%)
TSCA-Inventar-Status	TSCA listed