Cholest-5-en-3-ol(3β)-, 3-(10-undecenoate) supplier

Name
CHOLESTERYL 10-UNDECENOATE
EINECS
CAS No. 30948-01-7
Article Data5
CAS DataBase
Density 0.97 g/cm³
Solubility
Melting Point 79 °C
Formula C₃₈H₆₄O₂
Boiling Point 599.3 °C at 760 mmHg
Molecular Weight 552.925
Flash Point 315.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cholest-5-en-3-ol(3b)-, 10-undecenoate (9CI);Cholesterol, 10-undecenoate (8CI);Cholesteryl10-undecenoate;(3beta)-cholest-5-en-3-yl undec-10-enoate;10-undecenoic acid, (3β)-cholest-5-en-3-yl ester;(3β)-Cholest-5-en-3-yl undec-10-enoate;
PSA 26.30000
LogP 11.24640

Cholest-5-en-3-ol(3β)-, 3-(10-undecenoate) Specification

The Cholest-5-en-3-ol(3β)-, 3-(10-undecenoate), with the CAS registry number 30948-01-7, has the systematic name of (3beta)-cholest-5-en-3-yl undec-10-enoate. And the molecular formula of the chemical is C₃₈H₆₄O₂. What's more, it should be stored at -20°C.

The characteristics of Cholest-5-en-3-ol(3β)-, 3-(10-undecenoate) are as followings: (1)ACD/LogP: 14.98; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.98; (4)ACD/LogD (pH 7.4): 14.98; (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: 16; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 171 cm³; (15)Molar Volume: 569.2 cm³; (16)Polarizability: 67.79×10^-24cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 0.97 g/cm³; (19)Flash Point: 315.2 °C; (20)Enthalpy of Vaporization: 89.22 kJ/mol; (21)Boiling Point: 599.3 °C at 760 mmHg; (22)Vapour Pressure: 2.54E-14 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)CCCCCCCC\C=C
(2)InChI: InChI=1/C38H64O2/c1-7-8-9-10-11-12-13-14-18-36(39)40-31-23-25-37(5)30(27-31)19-20-32-34-22-21-33(29(4)17-15-16-28(2)3)38(34,6)26-24-35(32)37/h7,19,28-29,31-35H,1,8-18,20-27H2,2-6H3/t29-,31+,32+,33-,34+,35+,37+,38-/m1/s1
(3)InChIKey: QTVAWFVKCNGEJG-HMVYLTCSBO

Product Name

CHOLESTERYL 10-UNDECENOATE

Cholest-5-en-3-ol(3β)-, 3-(10-undecenoate) Specification

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