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Cholesteryl caprylate

Cholesteryl caprylate structure

CAS No:
1182-42-9
Formula:
C35H60O2
Chemical Name:
Cholesteryl caprylate
Synonyms:
Cholest-5-en-3-ol (3β)-,3-octanoate;Cholesterol,octanoate;Cholest-5-en-3-ol (3β)-,octanoate;Cholesteryl caprylate;Cholesteryl octanoate;Cholesterol caprylate;3β-(Octanoyloxy)cholest-5-ene;Cholest-5-en-3β-ol caprylate;5-Cholesten-3β-ol caprylate;Caprylic acid cholesterol ester;34315-23-6;900496-95-9
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Cholesteryl caprylate Basic Attributes

Molecular Weight：

512.85

Exact Mass：

512.85

EC Number：

214-656-2

UNII：

X9U26HA4Z2

DSSTox ID：

DTXSID00152038

Characteristics

PSA：

26.30000

XLogP3：

10.30010

Appearance：

White powder.

Density：

0.97 g/cm3

Melting Point：

106.0 °C

Boiling Point：

565ºC at 760 mmHg

Refractive Index：

1.51

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

8.69E-13mmHg at 25°C

Specific rotation：

-30 º (c=2, CHCl3 24 ºC)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Drug Information

MeSH Entry Terms：

cholesterol octanoate

Computed Properties

Molecular Weight:512.8
XLogP3:12.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:13
Exact Mass:512.45933115
Monoisotopic Mass:512.45933115
Topological Polar Surface Area:26.3
Heavy Atom Count:37
Complexity:782
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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