-
Name
Cholesteryl formate
- EINECS 224-416-9
- CAS No. 4351-55-7
- Article Data39
- CAS DataBase
- Density 1g/cm3
- Solubility
- Melting Point 95oC
- Formula C28H46 O2
- Boiling Point 487.1°Cat760mmHg
- Molecular Weight 414.672
- Flash Point 206.2°C
- Transport Information
- Appearance
- Safety 24/25
- Risk Codes R41
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Cholest-5-en-3-ol(3b)-, formate (9CI); Cholesterol,formate (6CI,7CI,8CI); 3b-(Formyloxy)cholest-5-ene; 5-Cholesten-3b-ol formate; Cholest-5-en-3b-ol formate; Cholesteryl formate
- PSA 26.30000
- LogP 8.20530
Cholesteryl formate Chemical Properties
Molecular structure of Cholesteryl formate (CAS NO.4351-55-7) is:
Product Name: Cholesteryl formate
CAS Registry Number: 4351-55-7
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
EINECS: 224-416-9
Melting Point: 95 °C
Molecular Weight: 414.66364 [g/mol]
Molecular Formula: C28H46O2
XLogP3-AA: 9.1
H-Bond Donor: 0
H-Bond Acceptor: 2
Index of Refraction: 1.517
Molar Refractivity: 125.15 cm3
Molar Volume: 413.2 cm3
Surface Tension: 37.8 dyne/cm
Density: 1 g/cm3
Flash Point: 206.2 °C
Enthalpy of Vaporization: 75.3 kJ/mol
Boiling Point: 487.1 °C at 760 mmHg
Vapour Pressure: 1.22E-09 mmHg at 25 °C
Product Categories: Cholesteryl Compounds (Liquid Crystals);Functional Materials;Liquid Crystals & Related Compounds;Steroids
Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC=O)C)C
Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC=O)C)C
InChI: InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey: YEYCQJVCAMFWCO-PXBBAZSNSA-N
Cholesteryl formate Specification
Cholesteryl formate , its cas register number is 4351-55-7. It also can be called Cholest-5-en-3beta-yl formate; [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate .
Related Products
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