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78100-57-9

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Basic Information
CAS No.: 78100-57-9
Name: vanilol
Molecular Structure:
Molecular Structure of 78100-57-9 (vanilol)
Formula: C15H23 N O5
Molecular Weight: 297.39
Synonyms: Vanilol
Density: 1.122g/cm3
Boiling Point: 442.2°C at 760 mmHg
Flash Point: 221.2°C
Safety: Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
PSA: 77.02000
LogP: 1.61040
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Chemistry

IUPAC Name: methyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzoate
Synonyms: 4-[3-(Isopropylamino)-2-hydroxypropoxy]-3-methoxybenzoic acid methyl ester
Molecular Formula of  Vanilol (CAS NO.78100-57-9) : C15H23NO5
Molecular Weight of  Vanilol (CAS NO.78100-57-9) : 297.3468 g/mol
Surface Tension: 39.4 dyne/cm
Index of Refraction: 1.512
Density: 1.122 g/cm3
Flash Point: 221.2 °C
Enthalpy of Vaporization: 73.74 kJ/mol
Boiling Point: 442.2 °C at 760 mmHg
Vapour Pressure: 1.34E-08 mmHg at 25°C 
Structure of  Vanilol (CAS NO.78100-57-9 ) :
 
 

Toxicity Data With Reference

1.    

orl-mus LD50:401 mg/kg

     CYLPDN    Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. 2 (2)(1981),97.
2.    

ipr-mus LD50:207 mg/kg

     CYLPDN    Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. 2 (2)(1981),97.
3.    

ivn-mus LD50:50 mg/kg

     CYLPDN    Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. 2 (2)(1981),97.

Safety Profile

 Vanilol (CAS NO.78100-57-9 ) is poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition, it emits toxic fumes of NOx. See also ESTERS.

Specification

Classification Code of  Vanilol (CAS NO.78100-57-9 ) : Drug / Therapeutic Agent