Cholesteryl oleyl carbonate supplier

Name
Cholesteryl oleyl carbonate
EINECS 241-179-7
CAS No. 17110-51-9
Article Data1
CAS DataBase
Density 0.97 g/cm³
Solubility
Melting Point 20 °C
Formula C₄₆H₈₀O₃
Boiling Point 712.8 °C at 760 mmHg
Molecular Weight 681.139
Flash Point 152.3 °C
Transport Information
Appearance white to pale yellow waxy liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 35.53000
LogP 14.58710

Cholesteryl oleyl carbonate 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

Product Name

Cholesteryl oleyl carbonate

Cholesteryl oleyl carbonate Specification

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