| Identification | |
| Name: | Benzoic acid,3,4,5-trihydroxy-, hexadecyl ester |
| Synonyms: | Gallicacid, hexadecyl ester (6CI,7CI,8CI);1-Hexadecanol, gallate (8CI);Cetylgallate;Gallic acid, cetyl ester;Hexadecyl gallate;Nipagallin CE;Palmitylgallate;Progallin CE; |
| CAS: | 5026-65-3 |
| EINECS: | 225-715-7 |
| Molecular Formula: | C23H38O5 |
| Molecular Weight: | 394.54 |
| InChI: | InChI=1/C23H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-23(27)19-17-20(24)22(26)21(25)18-19/h17-18,24-26H,2-16H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 100 °C |
| Density: | 1.065 g/cm3 |
| Refractive index: | 1.523 |
| Specification: |
The CAS register number of Hexadecyl 3,4,5-trihydroxybenzoate is 5026-65-3. It also can be called as 3,4,5-Trihydroxybenzoic acid hexadecyl ester and the IUPAC name about this chemical is hexadecyl 3,4,5-trihydroxybenzoate. It belongs to the Aromatic Esters. Physical properties about Hexadecyl 3,4,5-trihydroxybenzoate are: (1)ACD/LogP: 9.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.5; (4)ACD/LogD (pH 7.4): 9.37; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3521782; (8)ACD/KOC (pH 7.4): 2557518.5; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 53.99Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 113.16 cm3; (15)Molar Volume: 370.2 cm3; (16)Polarizability: 44.86x10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Enthalpy of Vaporization: 87.72 kJ/mol; (19)Boiling Point: 562.6 °C at 760 mmHg; (20)Vapour Pressure: 2.92E-13 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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