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Cas Database |
| Name |
Hexyl 2,2-dimethylpropanoate |
EINECS | N/A |
| CAS No. | 5434-57-1 | Density | 0.871g/cm3 |
| PSA | 26.30000 | LogP | 3.15600 |
| Solubility | N/A | Melting Point |
-63.1°C (estimate) |
| Formula | C11H22 O2 | Boiling Point | 203.2°Cat760mmHg |
| Molecular Weight | 186.294 | Flash Point | 76.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Pivalicacid, hexyl ester (7CI,8CI); 1-Hexyl pivalate; Hexyl neopentanoate; Hexylpivalate; NSC 15684 |
Article Data | 10 |
Hexyl 2,2-dimethylpropanoate Chemical Properties
IUPAC Name: hexyl 2,2-dimethylpropanoate
Synonyms of Hexyl 2,2-dimethylpropanoate (CAS NO.5434-57-1): 1-Hexyl pivalate ; AI3-20486 ; BRN 2205493 ; EINECS 226-602-5 ; Hexyl 2,2-dimethylpropionate ; Hexyl neopentanoate ; Hexyl pivalate ; NSC 15684 ; Pivalic acid, hexyl ester ; Propanoic acid, 2,2-dimethyl-, n-hexyl ester ; Pivalic acid, hexyl ester ; Propanoic acid, 2,2-dimethyl-, hexyl ester
CAS NO: 5434-57-1
Molecular Formula of Hexyl 2,2-dimethylpropanoate (CAS NO.5434-57-1): C11H22O2
Molecular Weight: 186.2912
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.426
Molar Refractivity: 54.75 cm3
Molar Volume: 213.6 cm3
Surface Tension: 27.5 dyne/cm
Density of Hexyl 2,2-dimethylpropanoate (CAS NO.5434-57-1): 0.871 g/cm3
Flash Point: 76.7 °C
Enthalpy of Vaporization: 43.94 kJ/mol
Boiling Point: 203.2 °C at 760 mmHg
Vapour Pressure: 0.281 mmHg at 25°C
Molecular Structure:
Hexyl 2,2-dimethylpropanoate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 723, 1982. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 723, 1982. |
Hexyl 2,2-dimethylpropanoate Consensus Reports
Reported in EPA TSCA Inventory.
Hexyl 2,2-dimethylpropanoate Safety Profile
Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
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