Basic Information | Post buying leads | Suppliers |
Name |
Sorbitan,dioctadecanoate |
EINECS | 253-084-8 |
CAS No. | 36521-89-8 | Density | 0.99g/cm3 |
PSA | 102.29000 | LogP | 11.08500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C42H80O7 | Boiling Point | 743.9 °C at 760 mmHg |
Molecular Weight | 697.0804 | Flash Point | 205.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Emasol S 20;Emasol 320;Distearyl sorbitan ester; |
The Sorbitan,dioctadecanoate, with CAS registry number 36521-89-8, has the systematic name of 1,4-anhydro-3,5-di-O-octadecanoylhexitol. Besides this, it is also called 1,4-Sorbitan-distearate. And the chemical formula of this chemical is C42H80O7.
Physical properties of Sorbitan,dioctadecanoate: (1)ACD/LogP: 15.75; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.75; (4)ACD/LogD (pH 7.4): 15.75; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 40; (12)Polar Surface Area: 102.29 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 202.93 cm3; (15)Molar Volume: 701.5 cm3; (16)Polarizability: 80.44×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 205.7 °C; (20)Enthalpy of Vaporization: 123.8 kJ/mol; (21)Boiling Point: 743.9 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-25 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1C(OCC1O)C(CO)OC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C42H80O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(45)48-38(35-43)42-41(37(44)36-47-42)49-40(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-44H,3-36H2,1-2H3
(3)InChIKey: CFSBKZAGHNEMSD-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C42H80O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(45)48-38(35-43)42-41(37(44)36-47-42)49-40(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-44H,3-36H2,1-2H3
(5)Std. InChIKey: CFSBKZAGHNEMSD-UHFFFAOYSA-N