Cholesteryl nonanoate (original) (raw)
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Cholesteryl nonanoate
Names | |
IUPAC name Cholest-5-en-3β-yl nonanoate | |
Systematic IUPAC name (1_R_,3a_S_,3b_S_,7_S_,9a_R_,9b_S_,11a_R_)-9a,11a-Dimethyl-1-[(2_R_)-6-methylheptan-2-yl]-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1_H_-cyclopenta[_a_]phenanthren-7-yl nonanoate | |
Other namesCholesteryl nonanoate, cholesteryl pelargonate, 3β-cholest-5-en-3-ol nonaoate | |
Identifiers | |
CAS Number | 1182-66-7 Y |
3D model (JSmol) | Interactive image |
ChemSpider | 2005816 Y |
ECHA InfoCard | 100.013.326 |
EC Number | 214-658-3 |
PubChem CID | 2723614 |
UNII | 4313O7P4XW Y |
CompTox Dashboard (EPA) | DTXSID70889364 |
InChI InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1 YKey: WCLNGBQPTVENHV-MKQVXYPISA-N YInChI=1/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1Key: WCLNGBQPTVENHV-MKQVXYPIBA | |
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 | |
Properties | |
Chemical formula | C36H62O2 |
Appearance | White crystals |
Melting point | 77 to 82 °C (171 to 180 °F; 350 to 355 K) |
Solubility in water | Insoluble |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references |
Chemical compound
Cholesteryl nonanoate, also called cholesteryl pelargonate, 3β-cholest-5-en-3-ol nonaoate or cholest-5-ene-3-β-yl nonanoate, is an ester of cholesterol and nonanoic acid. It is a liquid crystal material forming cholesteric liquid crystals with helical structure. It forms spherulite crystals.[1]
It is used in some hair colors,[2] make-ups, and some other cosmetic preparations; e.g. the ISP ColorFlow line is based on mixtures with e.g. cholesteryl chloride, cholesteryl oleyl carbonate and BHT. The mixture provides an opalescent, iridescent appearance.[3]
It is also used in some pleochroic dyes and together with e.g. cholesteryl oleyl carbonate and cholesteryl benzoate in some thermochromic applications.[4]
It can be also used as a component of the liquid crystals used for liquid crystal displays.