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Sorbitan, tetraoctadecanoate

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Name

Sorbitan, tetraoctadecanoate

EINECS 262-958-8
CAS No. 61752-68-9 Density 0.95 g/cm3
PSA 114.43000 LogP 24.70980
Solubility N/A Melting Point N/A
Formula C78H148O9 Boiling Point 1014.9 °C at 760 mmHg
Molecular Weight 1230.0043 Flash Point 347.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 61752-68-9 (Sorbitan, tetraoctadecanoate) Hazard Symbols N/A
Synonyms

Sorbitan tetrastearate;

 

Sorbitan, tetraoctadecanoate Specification

The Sorbitan, tetraoctadecanoate, with the CAS registry number of 61752-68-9, is also known as Sorbitan tetrastearate. Its EINECS registry number is 262-958-8. This chemical's molecular formula is C78H148O9 and molecular weight is 1230.00432. What's more, its IUPAC name is [(2R)-2-[(3R,4S)-3,4-Di(octadecanoyloxy)oxolan-2-yl]-2-octadecanoyloxyethyl] octadecanoate.

Physical properties about the Sorbitan, tetraoctadecanoate are: (1)ACD/LogP: 34.40; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 34.4; (4)ACD/LogD (pH 7.4): 34.4; (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: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 74; (12)Polar Surface Area: 114.43 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 370.29 cm3; (15)Molar Volume: 1286.3 cm3; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 0.95 g/cm3; (18)Flash Point: 347.3 °C; (19)Enthalpy of Vaporization: 148.44 kJ/mol; (20)Boiling Point: 1014.9 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O[C@@H]1[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)C(OC1)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C78H148O9/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(79)83-69-71(85-74(80)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)77-78(87-76(82)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72(70-84-77)86-75(81)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h71-72,77-78H,5-70H2,1-4H3/t71-,72+,77?,78-/m1/s1
(3) InChIKey: PZJDVAKEAKYPHG-UROSWEABBT

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