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CAS No.: | 27233-00-7 |
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Name: | (ACETYLOXY)-OCTADECANOIC ACID 1,2,3-PROPANETRIYL ESTER |
Molecular Structure: | |
Formula: | C63H116O12 |
Molecular Weight: | 1065.59 |
Synonyms: | Octadecanoicacid, (acetyloxy)-, 1,2,3-propanetriyl ester (9CI);Octadecanoic acid, hydroxy-,1,2,3-propanetriyl ester, triacetate (8CI);Glycerol,tris(hydroxyoctadecanoate) triacetate (8CI);Octadecanoic acid,(acetyloxy)-, 1,1',1''-(1,2,3-propanetriyl) ester; |
EINECS: | 248-351-0 |
Density: | 0.977 g/cm3 |
Boiling Point: | 905.7 °C at 760 mmHg |
Flash Point: | 325 °C |
PSA: | 157.80000 |
LogP: | 17.39390 |
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The Glyceryl triacetyl hydroxystearate, with the CAS registry number 27233-00-7, is also known as Octadecanoicacid, (acetyloxy)-, 1,2,3-propanetriyl ester (9CI). Its EINECS number is 248-351-0. This chemical's molecular formula is C63H116O12 and molecular weight is 1065.59. What's more, its systematic name is 2-{[18-(acetyloxy)octadecanoyl]oxy}propane-1,3-diyl bis[18-(acetyloxy)octadecanoate].
Physical properties of Glyceryl triacetyl hydroxystearate are: (1)ACD/LogP: 21.94; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 21.94; (4)ACD/BCF (pH 5.5): 1000000; (5)ACD/KOC (pH 5.5): 10000000; (6)#H bond acceptors: 12; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 65; (9)Polar Surface Area: 157.8 Å2; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 304.52 cm3; (12)Molar Volume: 1089.7 cm3; (13)Surface Tension: 36.8 dyne/cm; (14)Density: 0.977 g/cm3; (15)Flash Point: 325 °C; (16)Enthalpy of Vaporization: 131.73 kJ/mol; (17)Boiling Point: 905.7 °C at 760 mmHg; (18)Vapour Pressure: 1.28E-33 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCOC(=O)C)COC(=O)CCCCCCCCCCCCCCCCCOC(=O)C)CCCCCCCCCCCCCCCCCOC(=O)C
(2)InChI: InChI=1S/C63H116O12/c1-57(64)70-52-46-40-34-28-22-16-10-4-7-13-19-25-31-37-43-49-61(67)73-55-60(75-63(69)51-45-39-33-27-21-15-9-6-12-18-24-30-36-42-48-54-72-59(3)66)56-74-62(68)50-44-38-32-26-20-14-8-5-11-17-23-29-35-41-47-53-71-58(2)65/h60H,4-56H2,1-3H3
(3)InChIKey: GKLLDHHZSUEWRE-UHFFFAOYSA-N