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| CAS No.: | 26266-58-0 |
|---|---|
| Name: | SORBITAN TRIOLEATE |
| Molecular Structure: | |
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| Formula: | C60H108O8 |
| Molecular Weight: | 957.49 |
| Synonyms: | Extra Olein A 1981;Lunac O-V;Lunac OA; |
| EINECS: | 247-569-3 |
| Density: | 0.98 g/cm3 |
| Melting Point: | -23°C(lit.) |
| Boiling Point: | 887.4 °C at 760 mmHg |
| Flash Point: | 223.7 °C |
| Solubility: | Insluble |
| Appearance: | Yellow amber color to brown oily liquid. odorless. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 38 |
| Safety: | 26 |
| PSA: | 108.36000 |
| LogP: | 17.22540 |
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Specification
The Sorbitan trioleate is an organic compound with the formula C60H108O8. The IUPAC name of this chemical is [(2R)-2-[(3R,4S)-4-hydroxy-3-[(Z)-octadec-9-enoyl]oxyoxolan-2-yl]-2-[(Z)-octadec-9-enoyl]oxyethyl] (Z)-octadec-9-enoate. With the CAS registry number 26266-58-0, it is also named as 1,4-anhydro-2,3,6-tri-O--(9Z)-octadec-9-enoyl-D-glucitol. The product's categories are Ester Type (Surfactants); Functional Materials; Nonionic Surfactants; Surfactants; Cosmetic Ingredients & Chemicals. Besides, it should be stored in a closed cool and dry place. It is used as emulsifiers, lubricants, wetting agents, dispersants, thickeners, etc.
Physical properties about Sorbitan trioleate are: (1)ACD/LogP: 24.10; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 24.1; (4)ACD/LogD (pH 7.4): 24.1; (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: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 54; (12)Polar Surface Area: 108.36 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 286.34 cm3; (15)Molar Volume: 974.4 cm3; (16)Polarizability: 113.51×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 223.7 °C; (20)Enthalpy of Vaporization: 146.49 kJ/mol; (21)Boiling Point: 887.4 °C at 760 mmHg.
Preparation: this chemical can be prepared by sorbitol and refined oleic acid. This reaction will need catalyst sodium hydroxide.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCC/C=C\CCCCCCCC)[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC)CCCCCCC/C=C\CCCCCCCC
(2)InChI: InChI=1/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-52-54(61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-66-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55-,59+,60+/m0/s1
(3)InChIKey: ZBNRGEMZNWHCGA-SZOQPXBYBV
(4)Std. InChI: InChI=1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-52-54(61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-66-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55-,59+,60+/m0/s1
(5)Std. InChIKey: ZBNRGEMZNWHCGA-SZOQPXBYSA-N