Hexadecanoic acid, chloromethyl ester

Basic Information

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CAS Number

61413-69-2

Molecular Formula

C17H33ClO2

Molecular Weight

304.9 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

Basic Physical Properties

SMILES

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CCCCCCCCCCCCCCCC(=O)OCCl

InChI

InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)20-16-18/h2-16H2,1H3

InChIKey

GNLQYLAQYCCHNY-UHFFFAOYSA-N

LogP

6.2072000000000065

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

207

Synonyms & References

English

DTXSID50515215
61413-69-2
chloromethyl palmitate
A1-35568
Hexadecanoic acid, chloromethyl ester
AKOS028113799
GNLQYLAQYCCHNY-UHFFFAOYSA-N
CHLOROMETHYL HEXADECANOATE
AS-63050
D93831
SCHEMBL355177
chloromethyl hexadecanoate
Hexadecanoic acid chloromethyl ester

MDL Number

MFCD30470346

FAQ

What are the physical and chemical properties of Hexadecanoic acid, chloromethyl ester (CAS: 61413-69-2)?

Hexadecanoic acid, chloromethyl ester (CAS: 61413-69-2) is a crystalline solid with a molecular weight of approximately 324.24 g/mol. It is slightly soluble in water but miscible with many organic solvents. This compound reacts with bases to form chloromethyl esters and is prone to hydrolysis under acidic conditions. It has a melting point of around 65-67°C.

How is Hexadecanoic acid, chloromethyl ester (CAS: 61413-69-2) typically synthesized?

Hexadecanoic acid, chloromethyl ester (CAS: 61413-69-2) is typically synthesized by reacting hexadecanoic acid with chloromethyl alcohol under mild conditions. The process involves esterification, and the yield can be as high as 90%, with the use of a catalyst such as sulfuric acid or hydrochloric acid to promote the reaction.

What industries use Hexadecanoic acid, chloromethyl ester (CAS: 61413-69-2)?

Hexadecanoic acid, chloromethyl ester (CAS: 61413-69-2) is used in various industries, particularly in the pharmaceutical and polymer sectors. It serves as a precursor in the synthesis of certain drugs and is also used in the development of specialized polymers with unique properties.

What precautions should be taken when handling Hexadecanoic acid, chloromethyl ester (CAS: 61413-69-2)?

When handling Hexadecanoic acid, chloromethyl ester (CAS: 61413-69-2), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed emergency procedures.