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Basic Information
CAS No.: 63019-46-5
Name: Cholesterol 5-methylhexanoate
Molecular Structure:
Molecular Structure of 63019-46-5 (Cholesterol 5-methylhexanoate)
Formula: C34H58O2
Molecular Weight: 498.92
Synonyms: CHOLESTEROL ISOHEPTYLATE;3β-(5-Methyl-hexanoyloxy)-cholest-5-en;
Density: 0.97g/cm3
Boiling Point: 550.3°Cat760mmHg
Flash Point: 284.5°C
Safety: Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 26.30000
LogP: 9.76590
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Chemistry

Product Name: Cholesterol isoheptylate (CAS NO.63019-46-5)


Molecular Formula: C34H58O2
Molecular Weight: 498.8231g/mol
Mol File: 63019-46-5.mol
Boiling point: 550.3 °C at 760 mmHg
Flash Point: 284.5 °C
Density: 0.97 g/cm3
Surface Tension: 37.1 dyne/cm
Enthalpy of Vaporization: 83.03 kJ/mol
Vapour Pressure: 3.72E-12 mmHg at 25°C
XLogP3-AA: 11.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 11
Topological Polar Surface Area: 26.3
Heavy Atom Count: 36
Complexity: 780
Defined Atom StereoCenter Count: 8
Covalently-Bonded Unit Count: 1

Safety Profile

Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Cholesterol isoheptylate ,its CAS NO. is 63019-46-5,the synonyms is Cholesterol, 5-methyl-1-hexanoate ; BRN 3176523 ; CID112977 ; LS-53160 ; Cholest-5-en-3-ol (3-beta)-, 5-methylhexanoate ; 4-06-00-04007 (Beilstein Handbook Reference) .