Dodecanenitrile

Molecular Structure of Dodecanenitrile (2437-25-4):

EINECS: 219-440-1
IUPAC Name: Dodecanenitrile 
Molecular Formula: C₁₂H₂₃N
Molecular Weight: 181.317720 g/mol
XLogP3: 4.7
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: CCCCCCCCCCCC#N
InChI: InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
InChIKey: VXCUURYYWGCLIH-UHFFFAOYSA-N
Index of Refraction: 1.436
Molar Refractivity: 57.55 cm³
Molar Volume: 219.9 cm³
Surface Tension: 30.7 dyne/cm
Density: 0.824 g/cm³
Melting Point: 4 °C
Flash Point: 108.3 °C
Enthalpy of Vaporization: 51.49 kJ/mol
Boiling Point: 276.4 °C at 760 mmHg
Vapour Pressure: 0.0048 mmHg at 25 °C
Water Solubility: 2.51 mg/L at 25 °C
Refractive Index: n20/D 1.436(lit.)
BRN: 0970348

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

Safety Information of Dodecanenitrile (2437-25-4):
Hazard Codes: Xn
Risk Statements: 20/21/22
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 36-36/37
36: Wear suitable protective clothing
36/37: Wear suitable protective clothing and gloves
RIDADR: UN 3276 6.1/PG 3
WGK Germany: 2
RTECS: JR2600000
HS Code: 29269095
Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NO_x and CN−. See also NITRILES.

  Dodecanenitrile (2437-25-4) is clear yellow liquid with fruit aroma of citrus, grapes, grapefruit aroma. It is also called for  1-Cyanoundecane ; 4-02-00-01104 (Beilstein Handbook Reference) ; AI3-00311 ; Decylacetonitrile ; Dodecane nitrile ; Dodecanonitrile ; Lauric acid nitrile ; Lauric nitrile ; Lauronitrile ; NSC 1804 ; Undecyl cyanide ; Lauronitrile (8CI) . It is incompatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases. When it decompounds, it could yield Carbon monoxide , oxides of Nitrogen , Carbon dioxide . Dodecanenitrile (2437-25-4) is used as raw material of flavor in soap, lotion and cosmetics.