Cholesteryl caprylate supplier

Name
Cholesteryl caprylate
EINECS 214-656-2
CAS No. 1182-42-9
Article Data8
CAS DataBase
Density 0.97 g/cm³
Solubility
Melting Point 110 ºC
Formula C₃₅H₆₀O₂
Boiling Point 565 °C at 760 mmHg
Molecular Weight 512.86
Flash Point 293.7 °C
Transport Information
Appearance White powder.
Safety S24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cholest-5-en-3-ol(3b)-, octanoate (9CI);Cholesterol,octanoate (6CI,7CI,8CI);3b-(Octanoyloxy)cholest-5-ene;5-Cholesten-3b-ol caprylate;Cholest-5-en-3b-ol caprylate;Cholesterolcaprylate;Cholesteryl caprylate;Cholesteryl octanoate;
PSA 26.30000
LogP 10.30010

Cholesteryl caprylate Specification

The Cholesteryl caprylate, with CAS registry number of 1182-42-9, has the systematic name of (3beta)-cholest-5-ene-3-yl octanoate, and its product categories are various, including Cholesteryl Compounds (Liquid Crystals); Functional Materials; Liquid Crystals & Related Compounds. You should be cautious while dealing with this white fine crystalline powder, and acoid to contact with your eyes and skin. The chemical is usually used for breath tests for detection of pancreatic insufficiency in rats.

The characteristics of this chemical are as followings: (1)ACD/LogP: 13.89; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.89; (4)ACD/LogD (pH 7.4): 13.89; (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: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 157.34 cm³; (15)Molar Volume: 525.8 cm³; (16)Polarizability: 62.37×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 0.97 g/cm³; (19)Flash Point: 293.7 °C; (20)Enthalpy of Vaporization: 84.87 kJ/mol; (21)Boiling Point: 565 °C at 760 mmHg; (22)Vapour Pressure: 8.69E-13 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(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)CCCCCCC
(2)InChI: InChI=1/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1
(3)InChIKey: SKLBBRQPVZDTNM-SJTWHRLHBE

Product Name

Cholesteryl caprylate

Cholesteryl caprylate Specification

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