(3beta)-Cholest-5-en-3-yl valerate

Basic Information

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CAS Number

7726-03-6

Molecular Formula

C32H54O2

Molecular Weight

470.78 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Boiling Point

530°Cat760mmHg

Density

0.98

Flash Point

271.8°C

Refractive Index

-32 ° (C=2, CHCl3)

Vapor Pressure

0.0±1.4 mmHg at 25°C

SMILES

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CCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

InChI

InChI=1S/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1

InChIKey

RWTQCZGAMKTBRV-PTHRTHQKSA-N

LogP

9.129800000000003

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

737

Safety Information

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Hazard Statement

Synonyms & References

English

5-Cholesten-3b-ol valerate
SCHEMBL160533
Cholest-5-en-3-ol (3.beta.)-, pentanoate
HY-W127585
Cholest-5-en-3beta-yl valerate
CHOLESTERYL PENTANOATE (VALERATE)
CHOLEST-5-EN-3-OL (3.BETA.)-, 3-PENTANOATE
Cholesteryl n-valerate
Cholest-5-en-3-yl pentanoate
Cholesterol Valerate
DTXSID90998503
(3b)-Cholest-5-en-3-ol pentanoic acid
Cholesteryl n-valerate, >=90% (HPLC; detection at 205 nm)
Cholesteryl pentanoic acid
Cholesteryl pentanoate
Cholesterol n-valerate
Cholesterol pentanoate
cholest-5-en-3beta-yl pentanoate
Valeric Acid Cholesterol Ester
Cholesterol Valerate , 95%
Cholest-5-en-3b-ol valerate
Valeric acid cholesteryl ester
Cholesteryl valerate
CS-0185806
[(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] pentanoate
MFCD00037706
3beta-Hydroxy-5-cholestene 3-pentanoate
5:0 Cholesteryl ester
Cholesterol pentanoic acid
Cholest-5-en-3-yl pentanoate #
(3b)-Cholest-5-en-3-ol pentanoate

MDL Number

MFCD00037706

FAQ

What are the physical and chemical properties of (3beta)-Cholest-5-en-3-yl valerate (CAS: 7726-03-6)?

(3beta)-Cholest-5-en-3-yl valerate (CAS: 7726-03-6) is a solid with a crystalline form. Its molecular weight is approximately 410.67 g/mol. It has a low solubility in water but is soluble in organic solvents such as dichloromethane and ethanol. Chemically, it is relatively stable but can react with strong oxidizing agents. It is often used in chemical synthesis and pharmaceutical applications due to its properties.

How is (3beta)-Cholest-5-en-3-yl valerate (CAS: 7726-03-6) typically synthesized?

(3beta)-Cholest-5-en-3-yl valerate (CAS: 7726-03-6) is synthesized through a series of steps including the reduction of cholesterol, followed by esterification with valeric acid under the influence of a strong acid catalyst such as sulfuric acid. The yield and selectivity of the reaction are typically high, making it a common method in organic synthesis.

What industries use (3beta)-Cholest-5-en-3-yl valerate (CAS: 7726-03-6)?

(3beta)-Cholest-5-en-3-yl valerate (CAS: 7726-03-6) is primarily used in the pharmaceutical industry for the development of cholesterol-related drugs. It also finds applications in the polymer industry as a precursor for certain polymers and in the chemical industry for various synthesis processes. Its use in sensors and semiconductors is less common but not unheard of due to its chemical properties.

What precautions should be taken when handling (3beta)-Cholest-5-en-3-yl valerate (CAS: 7726-03-6)?

When handling (3beta)-Cholest-5-en-3-yl valerate (CAS: 7726-03-6), it is important to wear appropriate PPE such as gloves and goggles. Work in a fume hood to minimize exposure. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.