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CAS No.: | 30129-29-4 |
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Name: | 5-methyl-2-(propan-2-yl)phenyl 2-propylpentanoate |
Molecular Structure: | |
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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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
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. |
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.