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Cholest-5-en-3-ol (3b)-, 3-hexadecanoate (601-34-3)

Identification
Name:Cholest-5-en-3-ol (3b)-, 3-hexadecanoate
Synonyms:Cholest-5-en-3-ol(3b)-, hexadecanoate (9CI);Cholesterol, palmitate (6CI,8CI);Palmitic acid, cholesteryl ester (8CI);5-Cholesten-3b-ol stearate;Cholest-5-en-3b-ol stearate;Cholesterolhexadecanoate;Cholesteryl hexadecanoate;Cholesteryl palmitate;Hexadecanoicacid cholesteryl ester;NSC 59692;
CAS:601-34-3
EINECS: 210-002-5
Molecular Formula: C43H76O2
Molecular Weight: 625.07
InChI: InChI=1/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
Molecular Structure: (C43H76O2) Cholest-5-en-3-ol(3b)-, hexadecanoate (9CI);Cholesterol, palmitate (6CI,8CI);Palmitic acid, choleste...
Properties
Melting Point: 75-77 ºC
Density:0.95 g/cm3
Stability:Stable under normal temperatures and pressures.
Refractive index:-23.5 ° (C=2, CHCl3)
Alpha:-24 º (C=2, CHCL3 27 ºC)
Appearance:white shiny crystalline powder or flakes
Specification:

The CAS register number of Cholesteryl palmitate is 601-34-3. It also can be called as Cholest-5-ene-3-beta-yl palmitate and the IUPAC name about this chemical is [(10R,13R)-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] hexadecanoate. The molecular formula about this chemical is C43H76O2 and the molecular weight is 625.07. It belongs to the following product categories, such as Cholesteryl Compounds (Liquid Crystals); Functional Materials; Liquid Crystals & Related Compounds; Steroids and so on.

Physical properties about Cholesteryl palmitate are: (1)ACD/LogP: 18.14; (2)# of Rule of 5 Violations: 2 ; (3)#H bond acceptors: 2; (4)#Freely Rotating Bonds: 21; (5)Polar Surface Area: 26.3Å2; (6)Index of Refraction: 1.506; (7)Molar Refractivity: 194.39 cm3; (8)Molar Volume: 654.2 cm3; (9)Polarizability: 77.06x10-24cm3; (10)Surface Tension: 37.8 dyne/cm; (11)Enthalpy of Vaporization: 96 kJ/mol; (12)Boiling Point: 651.5 °C at 760 mmHg; (13)Vapour Pressure: 7.47E-17 mmHg at 25°C.

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

You can still convert the following datas into 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)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
(3)InChIKey: BBJQPKLGPMQWBU-JADYGXMDBF
(4)Std. InChI: InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
(5)Std. InChIKey: BBJQPKLGPMQWBU-JADYGXMDSA-N

Storage Temperature: −20°C
Safety Data
 

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