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Name	Hexyl valerate	EINECS	214-248-4
CAS No.	1117-59-5	Density	0.863 g/mL at 20 °C(lit.)
PSA	26.30000	LogP	3.30010
Solubility	N/A	Melting Point	-63.1°C
Formula	C11H22 O2	Boiling Point	224.7 °C at 760 mmHg
Molecular Weight	186.294	Flash Point	87.9 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Valericacid, hexyl ester (7CI,8CI); 1-Hexyl n-valerate; 1-Hexyl pentanoate; Hexylpentanoate; Hexyl valerate; Hexyl valerianate; NSC 21861	Article Data	3

Hexyl valerate Chemical Properties

Molecular Structure of Hexyl valerate (CAS NO.1117-59-5):

IUPAC Name: Hexyl pentanoate
Molecular Formula: C₁₁H₂₂O₂
Molecular Weight: 186.29
EINECS: 214-248-4
Index of Refraction: 1.426
Molar Refractivity: 54.78 cm³
Molar Volume: 213.5 cm³
Surface Tension: 28.7 dyne/cm
Density: 0.872 g/cm³
Flash Point: 87.9 °C
Enthalpy of Vaporization: 46.12 kJ/mol
Boiling Point: 224.7 °C at 760 mmHg
Vapour Pressure: 0.09 mmHg at 25 °C
Atmospheric OH Rate Constant: 1.05E-11 cm³/molecule-sec at 25 °C
Canonical SMILES: CCCCCCOC(=O)CCCC
InChIKey: YERFHJZYNMRVLO-UHFFFAOYSA-N
InChI: InChI=1S/C11H22O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h3-10H2,1-2H3

Hexyl valerate Safety Profile

Safety Information of Hexyl valerate (CAS NO.1117-59-5):
WGK Germany: 3

Hexyl valerate Specification

Hexyl valerate (CAS NO.1117-59-5), its Synonyms are Hexyl pentanoate ; Hexyl valerianate ; 1-Hexyl n-valerate ; Pentanoic acid, hexyl ester ; Valeric acid, hexyl ester (8CI) ; 1-Hexyl pentanoate .

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