-
Name
hexyl pivalate
- EINECS
- CAS No. 5434-57-1
- Article Data10
- CAS DataBase
- Density 0.871g/cm3
- Solubility
- 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
- Appearance
- Safety Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Pivalicacid, hexyl ester (7CI,8CI); 1-Hexyl pivalate; Hexyl neopentanoate; Hexylpivalate; NSC 15684
- PSA 26.30000
- LogP 3.15600
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.
Related Products
- Hexyl 2,2,2-trichloroacetate
- Hexyl 2,2-dimethylpropanoate
- Hexyl 2-methylbutyrate
- Hexyl 3-methylbutanoate
- Hexyl acetate
- Hexyl acrylate
- Hexyl alcohol
- Hexyl benzoate
- Hexyl beta-D-glucopyranoside
- Hexyl butyrate
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