-
Name
5-methyl-2-(propan-2-yl)phenyl 2-propylpentanoate
- EINECS
- CAS No. 30129-29-4
- Density 0.943g/cm3
- Solubility
- Melting Point
- Formula C18H28 O2
- Boiling Point 344.7°Cat760mmHg
- Molecular Weight 276.46
- Flash Point 118.8°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Valericacid, 2-propyl-, thymyl ester (8CI)
- PSA 26.30000
- LogP 5.24020
VALERIC ACID, 2-PROPYL-, THYMYL ESTER Chemical Properties
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 ) :
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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
VALERIC ACID, 2-PROPYL-, THYMYL ESTER 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. |
VALERIC ACID, 2-PROPYL-, THYMYL ESTER 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.
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