CAS No.17110-51-9,Cholesteryl oleyl carbonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17110-51-9
Name:	Cholesteryl oleyl carbonate
Article Data:	1

Formula:	C₄₆H₈₀O₃
Molecular Weight:	681.139
Synonyms:	Cholest-5-en-3-ol(3b)-, (9Z)-9-octadecenyl carbonate(9CI);Cholest-5-en-3-ol (3b)-, 9-octadecenyl carbonate, (Z)-;Cholesterol, 9-octadecenyl carbonate,(Z)- (8CI);9-Octadecen-1-ol, cholesteryl carbonate, (Z)- (8CI);Carbonic acid,cholesteryl 9-octadecenyl ester, (Z)- (8CI);Carbonic acid, cholesteryl oleylester;Cholesterol oleyl carbonate;Kh 16;Oleylcholesteryl carbonate;
EINECS:	241-179-7
Density:	0.97 g/cm³
Melting Point:	20 °C
Boiling Point:	712.8 °C at 760 mmHg
Flash Point:	152.3 °C
Appearance:	white to pale yellow waxy liquid
Safety:	24/25
PSA:	35.53000
LogP:	14.58710

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Specification

The Cholesteryl oleyl carbonate, also known as Cholest-5-en-3beta-yl (Z)-octadec-9-en-1-yl carbonate, is an organic compound with the formula C₄₆H₈₀O₃. It belongs to the product categories of Organics; Cholesteryl Alkyl Carbonates (Liquid Crystals); Functional Materials; Liquid Crystals & Related Compounds. Its EINECS registry number is 241-179-7. With the CAS registry number 17110-51-9, its IUPAC name is [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(Z)-octadec-9-enyl]carbonate. What's more, this chemical is a white to pale yellow waxy crystalline mass. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes.

Physical properties of Cholesteryl oleyl carbonate: (1)ACD/LogP: 19.25; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 19.25; (4)ACD/LogD (pH 7.4): 19.25; (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: 3; (10)#Freely Rotating Bonds: 24; (11)Index of Refraction: 1.51; (12)Molar Refractivity: 209.93 cm³; (13)Molar Volume: 701.4 cm³; (14)Surface Tension: 38.8 dyne/cm; (15)Density: 0.97 g/cm³; (16)Flash Point: 152.3 °C; (17)Enthalpy of Vaporization: 104.2 kJ/mol; (18)Boiling Point: 712.8 °C at 760 mmHg; (19)Vapour Pressure: 3.65E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCC\C=C/CCCCCCCC)O[C@@H]4C/C3=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C46H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-48-44(47)49-39-30-32-45(5)38(35-39)26-27-40-42-29-28-41(37(4)25-23-24-36(2)3)46(42,6)33-31-43(40)45/h14-15,26,36-37,39-43H,7-13,16-25,27-35H2,1-6H3/b15-14-/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1
(3)InChIKey: XMPIMLRYNVGZIA-TZOMHRFMBY