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