Hexadecanoic acid, propyl ester supplier

Name
PALMITIC ACID PROPYL ESTER
EINECS 218-803-1
CAS No. 2239-78-3
Article Data14
CAS DataBase
Density 0.864 g/cm³
Solubility
Melting Point 20.4°C
Formula C₁₉H₃₈O₂
Boiling Point 348.7 °C at 760 mmHg
Molecular Weight 298.51
Flash Point 167.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Palmiticacid, propyl ester (6CI,7CI,8CI);Propyl hexadecanoate;Propyl palmitate;
PSA 26.30000
LogP 6.42090

Hexadecanoic acid, propyl ester Specification

The Hexadecanoic acid,propyl ester, with the CAS registry number 2239-78-3, is also known as Propyl hexadecanoate. Its EINECS registry number is 218-803-1. This chemical's molecular formula is C₁₉H₃₈O₂ and molecular weight is 298.5. Its IUPAC name is called propyl hexadecanoate.

Physical properties of Hexadecanoic acid,propyl ester: (1)ACD/LogP: 8.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.68; (4)ACD/LogD (pH 7.4): 8.68; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1253590; (8)ACD/KOC (pH 7.4): 1253590; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 17; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 91.84 cm³; (14)Molar Volume: 345.6 cm³; (15)Surface Tension: 30.5 dyne/cm; (16)Density: 0.863 g/cm³; (17)Flash Point: 167.6 °C; (18)Enthalpy of Vaporization: 59.31 kJ/mol; (19)Boiling Point: 348.7 °C at 760 mmHg; (20)Vapour Pressure: 4.94E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCCC
(2)InChI: InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h3-18H2,1-2H3
(3)InChIKey: BEKZXQKGTDVSKX-UHFFFAOYSA-N

Product Name

PALMITIC ACID PROPYL ESTER

Hexadecanoic acid, propyl ester Specification

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