21-Hydroxyhenicosanoic acid

Basic Information

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CAS Number

89160-04-3

Molecular Formula

C21H42O3

Molecular Weight

342.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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C(CCCCCCCCCCO)CCCCCCCCCC(=O)O

InChI

InChI=1S/C21H42O3/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24/h22H,1-20H2,(H,23,24)

InChIKey

NENJNFMRWQAPAC-UHFFFAOYSA-N

LogP

6.475200000000006

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

254

Synonyms & References

English

HENEICOSANOIC ACID, 21-HYDROXY-
MFCD02259051
21-hydroxyhenicosanoicacid
omega-hydroxyheneicosanoic acid
F71571
Q27148262
21-HYDROXYHENEICOSANOIC ACID
SCHEMBL153399
89160-04-3
21-hydroxy-heneicosanoic acid
LMFA01050076
21-hydroxyhenicosanoic acid
CHEBI:79195
omega-hydroxyhenicosanoic acid

MDL Number

MFCD02259051

FAQ

What are the physical and chemical properties of 21-Hydroxyhenicosanoic acid (CAS: 89160-04-3)?

21-Hydroxyhenicosanoic acid (CAS: 89160-04-3) is a long-chain fatty acid with a molecular weight of approximately 494.63 g/mol. It exists as a white solid in its crystalline form. The compound is poorly soluble in water but soluble in organic solvents such as ethanol and acetone. It exhibits limited reactivity under normal conditions, but can undergo hydrolysis under basic conditions. This property makes it useful in certain synthetic and analytical applications.

How is 21-Hydroxyhenicosanoic acid (CAS: 89160-04-3) typically synthesized?

21-Hydroxyhenicosanoic acid (CAS: 89160-04-3) can be synthesized through a series of steps, including the hydroxylation of a long-chain fatty acid followed by esterification. Common methods involve the use of enzymatic systems or chemical reagents to introduce the hydroxyl group at the 21 position. The synthetic route typically involves high selectivity and moderate to good yields, with careful control over reaction conditions to ensure the desired product is obtained.

What industries use 21-Hydroxyhenicosanoic acid (CAS: 89160-04-3)?

21-Hydroxyhenicosanoic acid (CAS: 89160-04-3) is primarily used in the pharmaceutical industry for the development of novel therapeutic agents. It also finds applications in the cosmetic industry as a skin conditioning agent and in the polymer industry for modifying the properties of polymer-based materials. Additionally, it is explored in analytical chemistry for applications such as chromatography and in the field of sensors for its unique physicochemical properties.

What precautions should be taken when handling 21-Hydroxyhenicosanoic acid (CAS: 89160-04-3)?

When handling 21-Hydroxyhenicosanoic acid (CAS: 89160-04-3), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and laboratory coats. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials. In case of accidental ingestion or contact with the eyes, seek medical attention immediately. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.