16-[(2-Methyl-2-propanyl)oxy]-16-oxohexadecanoic acid

Basic Information

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CAS Number

843666-27-3

Molecular Formula

C20H38O4

Molecular Weight

341.51 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

Melting Point

58.0 to 62.0 deg-C

SMILES

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[O-]C(=O)CCCCCCCCCCCCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C20H38O4/c1-20(2,3)24-19(23)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18(21)22/h4-17H2,1-3H3,(H,21,22)

InChIKey

HXJICNOLPKEOLU-UHFFFAOYSA-N

LogP

4.539400000000004

Topological Polar Surface Area

66.42999999999999 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

331

Synonyms & References

English

Hexadecanedioic acid, mono(1,1-dimethylethyl) ester
tert-Butyl Hydrogen Hexadecanedioate
16-(TERT-BUTOXY)-16-OXOHEXADECANOIC ACID
16-[(2-methylpropan-2-yl)oxy]-16-oxohexadecanoate
hexadecanedioic acid mono-tert-butyl ester
mono-tert-butyl hexadecandioate
HXJICNOLPKEOLU-UHFFFAOYSA-N
ZB0900
hexadecandioic acid mono t-butyl ester
OR303207
AK179231
Hexadecanedioic Acid Mono-tert-butyl Ester
Boc-C14-COOH

MDL Number

MFCD23136039

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 16-[(2-Methyl-2-propanyl)oxy]-16-oxohexadecanoic acid (CAS: 843666-27-3)?

16-[(2-Methyl-2-propanyl)oxy]-16-oxohexadecanoic acid has a crystalline form. Its molecular weight is approximately 330.52 g/mol. This compound is poorly soluble in water but soluble in organic solvents. It is reactive towards nucleophiles and can undergo esterification and transesterification reactions.

How is 16-[(2-Methyl-2-propanyl)oxy]-16-oxohexadecanoic acid (CAS: 843666-27-3) typically synthesized?

16-[(2-Methyl-2-propanyl)oxy]-16-oxohexadecanoic acid is typically synthesized via an esterification reaction between hexadecanoic acid and 2-methyl-2-propanol. The reaction is catalyzed by a strong acid like sulfuric acid, and the yield can be up to 85%.

What industries use 16-[(2-Methyl-2-propanyl)oxy]-16-oxohexadecanoic acid (CAS: 843666-27-3)?

16-[(2-Methyl-2-propanyl)oxy]-16-oxohexadecanoic acid is used in the pharmaceutical industry for the synthesis of certain medications. It is also utilized in the polymer industry as a monomer for producing specific types of polymers with enhanced properties.

What precautions should be taken when handling 16-[(2-Methyl-2-propanyl)oxy]-16-oxohexadecanoic acid (CAS: 843666-27-3)?

When handling 16-[(2-Methyl-2-propanyl)oxy]-16-oxohexadecanoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate methods, and an SDS (Safety Data Sheet) should be consulted for specific handling instructions.