Basic information
- Name:
Hexadecanoicacid, 4-oxo-6-[[(1-oxohexadecyl)oxy]methyl]-4H-pyran-3-yl ester
- Superlist Name:
- Kojic acid dipalmitate
- CAS No.:
79725-98-7
- Molecular Structure:
![Molecular Structure of 79725-98-7 (Hexadecanoicacid, 4-oxo-6-[[(1-oxohexadecyl)oxy]methyl]-4H-pyran-3-yl ester)](http://www.lookchem.com/300w\2011-9\05ad70df-d51f-4a44-9b25-c9328e02d06d.gif)
- Formula:
- C38H66O6
- Molecular Weight:
- 618.93
- Synonyms:
- KAD15;2-Palmitoyloxymethyl-5-palmitoyloxy-pyrone;2-Palmitoyloxymethyl-5-palmitoyloxy-gamma-pyrone;
- Density:
- 0.99 g/cm3
- Melting Point:
- 92-96 °C
- Boiling Point:
- 684.7 °C at 760 mmHg
- Flash Point:
- 273.9 °C
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Specification
The Kojic acid dipalmitate, with the CAS registry number 79725-98-7, has the systematic name [6-(hexadecanoyloxymethyl)-4-oxo-pyran-3-yl] hexadecanoate. Its molecular formula is C38H66O6 and its molecular weight is 618.93. However, this chemical is which should be kept cool and dry. Additionally, its product categories are Fine Chemical & Intermediates.
Other characteristics of the Kojic acid dipalmitate can be summarised as followings: (1)ACD/LogP: 15.30; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.3; (4)ACD/LogD (pH 7.4): 15.3; (5)#H bond acceptors: 6; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 33; (8)Polar Surface Area: 78.9 Å2; (9)Index of Refraction: 1.491; (10)Molar Refractivity: 180.9 cm3; (11)Molar Volume: 623.7 cm3; (12)Polarizability: 71.71×10-24cm3; (13)Surface Tension: 39.8 dyne/cm; (14)Density: 0.99 g/cm3; (15)Flash Point: 273.9 °C; (16)Enthalpy of Vaporization: 100.42 kJ/mol; (17)Boiling Point: 684.7 °C at 760 mmHg; (18)Vapour Pressure: 1.33E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(co1)OC(=O)CCCCCCCCCCCCCCC
2.InChI: InChI=1/C38H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)43-32-34-31-35(39)36(33-42-34)44-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33H,3-30,32H2,1-2H3
3.InChIKey: SGEADTGIZKXPIP-UHFFFAOYAR