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| CAS No.: | 2437-25-4 |
|---|---|
| Name: | Dodecanenitrile |
| Article Data: | 102 |
| Molecular Structure: | |
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|
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| Formula: | C12H23 N |
| Molecular Weight: | 181.321 |
| Synonyms: | Lauronitrile(6CI,7CI,8CI); 1-Cyanoundecane; Arneel 12; Decylacetonitrile; Dodecanonitrile;Lauric acid nitrile; Lauric nitrile; NSC 1804; Undecyl cyanide; Undecylnitrile; n-Dodecanonitrile |
| EINECS: | 219-440-1 |
| Density: | 0.827 |
| Melting Point: | 4°C |
| Boiling Point: | 198 ºC (100 mmHg) |
| Flash Point: | 114 ºC |
| Solubility: | Insoluble in water. |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
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| Risk Codes: | R20/21/22 |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES. |
| Transport Information: | UN 3276 |
| PSA: | 23.79000 |
| LogP: | 4.43088 |
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Chemistry
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
Toxicity Data With Reference
| 1. | orl-rat LDLo:500 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 90 (1947),260. |
Consensus Reports
Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.
Safety Profile
Safety Information of Dodecanenitrile (2437-25-4):
Hazard Codes: Xn .gif){kind=small}
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 NOx and CN−. See also NITRILES.
Specification
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.