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13277-59-3

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Basic Information
CAS No.: 13277-59-3
Name: dodecyl nitrate
Molecular Structure:
Molecular Structure of 13277-59-3 (dodecyl nitrate)
Formula: C12H25NO3
Molecular Weight: 231.335
Synonyms: Laurylnitrat;Salpetersaeure-dodecylester;1-Nitrato-dodecan;NITRIC ACID,DODECYL ESTER;n-Dodecylnitrat;Laurylester kyseliny dusicne;Dodecylnitrat;Lauryl nitrate;1-nitrooxy-dodecane;
Density: 0.941g/cm3
Boiling Point: 280.3°C at 760 mmHg
Flash Point: 86.1°C
Safety: A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
PSA: 55.05000
LogP: 4.63880
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Chemistry

Empirical Formula of Nitric acid, dodecyl ester (CAS NO.13277-59-3): C12H25NO3
Molecular Weight: 231.3318 
Index of Refraction: 1.445
Density: 0.941 g/cm3
Flash Point: 86.1 °C
Enthalpy of Vaporization: 49.81 kJ/mol
Boiling Point: 280.3 °C at 760 mmHg
Vapour Pressure: 0.0065 mmHg at 25 °C
Structure of Nitric acid, dodecyl ester (CAS NO.13277-59-3):
                      
IUPAC Name: Dodecyl nitrate
Canonical SMILES: CCCCCCCCCCCCO[N+](=O)[O-]
InChI: InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3
InChIKey: PAWHIGFHUHHWLN-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,49.
2.    

eye-rbt 500 mg/24H MLD

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,49.

Safety Profile

A skin and eye irritant. When heated to decomposition Nitric acid, dodecyl ester (CAS NO.13277-59-3) emits toxic fumes of NOx. See also ESTERS.

Specification

 Nitric acid, dodecyl ester , its cas register number is 13277-59-3. It also can be called Dodecylester kyseliny dusicne ; and Lauryl nitrate .