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5434-57-1

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Basic Information
CAS No.: 5434-57-1
Name: hexyl pivalate
Article Data: 10
Molecular Structure:
Molecular Structure of 5434-57-1 (hexyl pivalate)
Formula: C11H22 O2
Molecular Weight: 186.294
Synonyms: Pivalicacid, hexyl ester (7CI,8CI); 1-Hexyl pivalate; Hexyl neopentanoate; Hexylpivalate; NSC 15684
Density: 0.871g/cm3
Melting Point: -63.1°C (estimate)
Boiling Point: 203.2°Cat760mmHg
Flash Point: 76.7°C
Safety: Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 26.30000
LogP: 3.15600
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Chemistry

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:

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.