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Cholesteryl myristate

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Name

Cholesteryl myristate

EINECS 217-867-8
CAS No. 1989-52-2 Density 0.96 g/cm3
PSA 26.30000 LogP 12.64070
Solubility N/A Melting Point 84 °C
Formula C41H72O2 Boiling Point 630.7 °C at 760 mmHg
Molecular Weight 597.021 Flash Point 334.8 °C
Transport Information N/A Appearance White powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1989-52-2 (Cholesteryl myristate) Hazard Symbols IrritantXi
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 tetradecanoate;Cholestryl myristate;NSC 226867;

Article Data 12

Cholesteryl myristate 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

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