Methyl 21-hydroxyheneicosanoate

Basic Information

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CAS Number

94035-98-0

Molecular Formula

C22H44O3

Molecular Weight

356.58 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

SMILES

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COC(=O)CCCCCCCCCCCCCCCCCCCCO

InChI

InChI=1S/C22H44O3/c1-25-22(24)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23/h23H,2-21H2,1H3

InChIKey

YCYYZXLJQNQRSH-UHFFFAOYSA-N

LogP

6.563600000000007

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

266

Synonyms & References

English

21-羟基-二十一烷酸甲酯
METHYL 21-HYDROXYHENEICOSANOATE
METHYL 21-HYDROXYHENICOSANOATE
21-Hydroxyhenicosanoic acid methyl ester
SCHEMBL19385433
94035-98-0
PD078219
CS-0458855

MDL Number

MFCD02259078

FAQ

What are the physical and chemical properties of Methyl 21-hydroxyheneicosanoate (CAS: 94035-98-0)?

Methyl 21-hydroxyheneicosanoate (CAS: 94035-98-0) is a crystalline compound with a molecular weight of approximately 410.5 g/mol. It has limited aqueous solubility but is soluble in common organic solvents such as ethanol and acetone. This compound is relatively stable under normal conditions but may react with strong bases or acids. It is typically used in the synthesis of pharmaceuticals and other materials due to its unique chemical structure.

How is Methyl 21-hydroxyheneicosanoate (CAS: 94035-98-0) typically synthesized?

Methyl 21-hydroxyheneicosanoate (CAS: 94035-98-0) is typically synthesized through a multi-step process involving the hydroxylation of a heneicosanoic acid derivative followed by esterification with methanol. This synthesis often employs palladium catalysts and is known for its high selectivity and yield, making it a suitable method for commercial production.

What industries use Methyl 21-hydroxyheneicosanoate (CAS: 94035-98-0)?

Methyl 21-hydroxyheneicosanoate (CAS: 94035-98-0) is primarily used in the pharmaceutical industry for the development of new drugs due to its unique chemical properties. It is also explored in polymer science for its potential to enhance material properties and in sensor technology for its reactivity with specific analytes.

What precautions should be taken when handling Methyl 21-hydroxyheneicosanoate (CAS: 94035-98-0)?

When handling Methyl 21-hydroxyheneicosanoate (CAS: 94035-98-0), it is important to wear appropriate personal protective equipment (PPE) including gloves and safety glasses. This compound should be handled in a well-ventilated area or fume hood to minimize inhalation risks. In the event of a spill, it should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.