Dodecannitril

CLONAL · DODECYLNITRILE · Nitrile 12 · Lauronitril · LAURONITRILE · Undecylcyanid · Laurylnitrile · Dodecannitril

Identifikatoren & physikalische Daten

CAS No.	2437-25-4
Summenformel	C12H23N
Durchschnittliche Molmasse	181,32 g/mol
Monoisotopische Masse	181,18304974 g/mol
SMILES	CCCCCCCCCCCC#N
InChIKey	VXCUURYYWGCLIH-UHFFFAOYSA-N
PubChem CID	17092
ChEMBL	CHEMBL1879602
ChEBI	CHEBI:189391
EC No.	219-440-1
DTXSID	DTXSID1022188
Lokaler Name	Dodecannitril

XLogP	4,7
Polarare Oberfläche (TPSA)	23,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	9
Schwere Atome	13
Formalladung	0
Komplexität	131
Lipide	Fatty Acyls [FA] -> Fatty nitriles [FA09]
SpringerMaterials Properties	Boiling point
Duftstoffe	Fragrance Ingredient (Dodecanenitrile) -> IFRA transparency List
Physical Description	Liquid
Schmelzpunkt	4°C
Siedepunkt	198 °C100 mm Hg(lit.)
Dichte	0.827 g/mL at 25 °C(lit.)
Dampfdruck	13.332hPa at 140.47℃
Brechungsindex	n20/D 1.436(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	Store below +30°C.
Aggregatzustand	clear liquid
Wichte	0.83
Farbe	Colorless to Light yellow to Light orange
Geruch	at 10.00 % in dipropylene glycol. dry citrus orange peel metallic spicy
Geruchsart	citrus
Löslichkeit	Insoluble in water.
BRN	970348
Dielektrizitätskonstante	10.109999999999999
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
InChI	1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
InChIKey	VXCUURYYWGCLIH-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCC#N
LogP (Verteilungskoeffizient)	4.77
CAS Datenbank	2437-25-4(CAS DataBase Reference)
NIST chemische Informationen	Dodecanenitrile(2437-25-4)
EPA chemische Informationen	Dodecanenitrile (2437-25-4)

GHS-Einstufung	WarningH315 (86.3%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1736 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: DodecanenitrileDodecanenitrile is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanenitrile 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)Status: Active Update: 30-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20698Dodecanenitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (86.3%)
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 3276 6.1/PG 3
Zollcode	29269095
RTECS-Nr.	JR2600000
R-Sätze (R)	20/21/22
Gefahrensymbole	Xn
Sicherheitshinweise (S)	36-36/37
Gefahrenklasse	9Aquatic Acute 1Aquatic Chronic 2Skin Irrit. 2
Lagerklasse	10 - Combustible liquids