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Basic Information
CAS No.: 30129-29-4
Name: 5-methyl-2-(propan-2-yl)phenyl 2-propylpentanoate
Molecular Structure:
Molecular Structure of 30129-29-4 (5-methyl-2-(propan-2-yl)phenyl 2-propylpentanoate)
Formula: C18H28 O2
Molecular Weight: 276.46
Synonyms: Valericacid, 2-propyl-, thymyl ester (8CI)
Density: 0.943g/cm3
Boiling Point: 344.7°Cat760mmHg
Flash Point: 118.8°C
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 26.30000
LogP: 5.24020
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Chemistry

IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-propylpentanoate
Synonyms: 2-Propylvaleric acid thymyl ester ; Pentanoic acid, 2-propyl-, thymyl ester ; Thymyl 2-propylvalerate
Molecular Formula of Valeric acid, 2-propyl-, thymyl ester (CAS NO.30129-29-4 ) : C18H28O2
Structure Descriptors:
   Smiles:C(C(CCC)CCC)(=O)Oc1cc(C)ccc1C(C)C 
Structure of  Valeric acid, 2-propyl-, thymyl ester (CAS NO.30129-29-4 ) :

Molecular Weight: 276.46 g/mol
Index of Refraction: 1.487
Density: 0.943 g/cm3
Flash Point: 118.8 °C
Surface Tension: 32.2 dyne/cm
Enthalpy of Vaporization: 58.87 kJ/mol
Boiling Point: 344.7 °C at 760 mmHg
Vapour Pressure: 6.48E-05 mmHg at 25°C

 

Toxicity Data With Reference

1.    

orl-rat LD50:>2 g/kg

     CHTPBA    Chimica Therapeutica. 3 (1968),433.
2.    

ipr-rat LD50:>2 g/kg

     CHTPBA    Chimica Therapeutica. 3 (1968),433.
3.    

orl-mus LD50:>2500 mg/kg

     CHTPBA    Chimica Therapeutica. 3 (1968),433.
4.    

ipr-mus LD50:>2 g/kg

     CHTPBA    Chimica Therapeutica. 3 (1968),433.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition Valeric acid, 2-propyl-, thymyl ester (CAS NO.30129-29-4 ) emits acrid smoke and irritating vapors.