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Cholest-5-en-3-ol (3b)-, 3-tetradecanoate (1989-52-2)

Identification
Name:Cholest-5-en-3-ol (3b)-, 3-tetradecanoate
Synonyms:Cholest-5-en-3-ol(3b)-, tetradecanoate (9CI);Cholesterol, myristate (6CI,7CI,8CI);Myristic acid, cholesteryl ester (8CI);5-Cholesten-3b-olpalmitate;Cholest-5-en-3b-ol palmitate;Cholesterol tetradecanoate;Cholesteryl myristate;Cholesteryl tetradecanoate;Cholestryl myristate;NSC 226867;
CAS:1989-52-2
EINECS: 217-867-8
Molecular Formula: C41H72O2
Molecular Weight: 597.01
InChI: InChI=1/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3
Molecular Structure: (C41H72O2) Cholest-5-en-3-ol(3b)-, tetradecanoate (9CI);Cholesterol, myristate (6CI,7CI,8CI);Myristic acid, cho...
Properties
Melting Point: 84 °C
Density:0.95 g/cm3
Stability:Stable under normal temperatures and pressures.
Refractive index:1.506
Water Solubility:Soluble in hexane (10%-clear)
Solubility:Soluble in hexane (10%-clear)
Appearance:White powder
Specification:

The cas register number of Cholesteryl myristate is 1989-52-2. It also can be called as Cholest-5-en-3-ol (3beta)-, 3-tetradecanoate and the Systematic name about this chemical 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] tetradecanoate.

Physical properties about Cholesteryl myristate are: (1)ACD/LogP: 17.08; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 17.08; (4)ACD/LogD (pH 7.4): 17.08; (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: 19; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 185.13 cm3; (15)Molar Volume: 622.1 cm3; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 0.95 g/cm3; (18)Flash Point: 334.8 °C; (19)Enthalpy of Vaporization: 93.28 kJ/mol; (20)Boiling Point: 630.7 °C at 760 mmHg; (21)Vapour Pressure: 8.15E-16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule 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)CCCCCCCCCCCCC
2.InChI: InChI=1/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1 
3.InChIKey: SJDMTGSQPOFVLR-ZPQCIJQQBN
4.Std. InChI: InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1

Storage Temperature: −20°C
Safety Data
 

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