Rapeseed sterol

Brassic sterol structural formula

Structural formula

Business number 0516
Molecular formula C28H46O
Molecular weight 398.67
label

5,22-Cholestadien-24β-methyl-3β-ol

Numbering system

CAS number:474-67-9

MDL number:None

EINECS number:207-486-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Undetermined


2. Density (g/ m3,25/4): Undetermined


3. Relative steam Density (g/cm3,AIR=1): Undetermined


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: Undetermined


8. Flash Point (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Not determined

Toxicological data

None

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1 Molar refractive index:124.28


2 Molar volumem3/mol400.7


3 Isotonic specific volume (90.2K):996.8


4 Surface tensiondyne/cm)38.2


5, Polarizability10-24cm3 )49.27

Compute chemical data

1. Hydrophobic parameters Calculate the reference value (XlogP):8


2. Hydrogen Bonding Number of donors: 1


3. Hydrogen Bonding Number of receptors: 1


4. Number of rotatable chemical bonds:4


5. Interchange Number of isomers:


6. Topological molecules Polar surface area (TPSA):20.2


7. Heavy Atom Quantity: 29


8. Surface charge :0


9. Complexity :659


10. Isotope atomic number:0


11. Determine the number of atomic stereocenters:1


12. Uncertain number of atomic stereocenters:8


13. Determine the number of stereocenters of chemical bonds:1


14. Uncertain number of chemical bond stereocenters:0


15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save sealed at 2-8°C, placed in a ventilated, dry place, and avoid contact with other oxides.

Synthesis method

None

Purpose

None

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/29499

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