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6259-77-4

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Basic Information
CAS No.: 6259-77-4
Name: Heptyl salicylate
Article Data: 5
Molecular Structure:
Molecular Structure of 6259-77-4 (Heptyl salicylate)
Formula: C14H20O3
Molecular Weight: 236.311
Synonyms: Salicylicacid, heptyl ester (6CI,7CI,8CI);benzoic acid, 2-hydroxy-, heptyl ester;heptyl 2-hydroxybenzoate;
EINECS: 228-409-1
Density: 1.051 g/cm3
Boiling Point: 320.7 °C at 760 mmHg
Flash Point: 125 °C
PSA: 46.53000
LogP: 3.51940
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Chemistry

Molecular Structure of Heptyl salicylate (CAS NO.6259-77-4):

IUPAC Name: heptyl 2-hydroxybenzoate 
Empirical Formula: C14H20O3
Molecular Weight: 236.3068
EINECS: 228-409-1
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 9
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.514
Molar Refractivity: 67.7 cm3
Molar Volume: 224.7 cm3
Surface Tension: 40.1 dyne/cm
Density: 1.051 g/cm3
Flash Point: 125 °C
Enthalpy of Vaporization: 58.47 kJ/mol
Boiling Point: 320.7 °C at 760 mmHg
Vapour Pressure: 0.000167 mmHg at 25°C
InChI
InChI=1/C14H20O3/c1-2-3-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15/h6-7,9-10,15H,2-5,8,11H2,1H3
Smiles
c1(C(=O)OCCCCCCC)c(O)cccc1

Specification

  Heptyl salicylate , with CAS number is 20843-07-6, can be called Salicylicacid, heptyl ester (6CI,7CI,8CI) ; benzoic acid, 2-hydroxy-, heptyl ester ; heptyl 2-hydroxybenzoate .