15-(tert-Butoxy)-15-oxopentadecanoic acid

Basic Information

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CAS Number

905302-42-3

Molecular Formula

C19H36O4

Molecular Weight

328.49 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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CC(C)(C)OC(=O)CCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C19H36O4/c1-19(2,3)23-18(22)16-14-12-10-8-6-4-5-7-9-11-13-15-17(20)21/h4-16H2,1-3H3,(H,20,21)

InChIKey

BDHAQLJDYZFGNC-UHFFFAOYSA-N

LogP

5.484000000000005

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

318

Synonyms & References

English

15-(Tert-Butoxy)-15-oxopentadecanoic acid
1-(1,1-Dimethylethyl) pentadecanedioate (ACI)
Pentadecanedioic acid, mono(1,1-dimethylethyl) ester (9CI)
15-(tert-Butoxy)-15-oxopentadecanoic acid
pentadecanedioic acid mono-tert-butyl ester
AKOS030629231
BS-17820
A1-23370
SCHEMBL558042
CS-0163409
15-[(2-methylpropan-2-yl)oxy]-15-oxopentadecanoic acid
905302-42-3
DB-097847
MFCD30470973

MDL Number

MFCD30470973

FAQ

What are the physical and chemical properties of 15-(tert-Butoxy)-15-oxopentadecanoic acid (CAS: 905302-42-3)?

15-(tert-Butoxy)-15-oxopentadecanoic acid is a solid with a crystalline form. It has a molecular weight of approximately 330.45 g/mol. The compound is poorly water-soluble, with a solubility of about 0.05 g/L at 25°C. Chemically, it is reactive towards basic hydroxides, but stable under normal conditions. It is a carboxylic acid derivative and can react in esterification and amide formation reactions.

How is 15-(tert-Butoxy)-15-oxopentadecanoic acid (CAS: 905302-42-3) typically synthesized?

15-(tert-Butoxy)-15-oxopentadecanoic acid is typically synthesized through the esterification of 15-(tert-butoxycarbonyl)-pentadecanoic acid with tert-butanol. The reaction is performed under mild conditions using a strong acid catalyst like sulfuric acid. The yield is typically around 85-90%, and the product is isolated through recrystallization from a suitable solvent.

What industries use 15-(tert-Butoxy)-15-oxopentadecanoic acid (CAS: 905302-42-3)?

15-(tert-Butoxy)-15-oxopentadecanoic acid is used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It is also utilized in the polymer industry for its ability to enhance mechanical properties of polymers. Additionally, it is explored in the field of sensor technology for its reactivity and in various chemical applications requiring specific functional groups.

What precautions should be taken when handling 15-(tert-Butoxy)-15-oxopentadecanoic acid (CAS: 905302-42-3)?

When handling 15-(tert-Butoxy)-15-oxopentadecanoic acid, appropriate personal protective equipment (PPE) should be worn, including gloves and safety goggles. The compound should be stored in a cool, dry place away from sources of heat and light. In case of a spill, it should be handled carefully with appropriate absorbent material and disposed of in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.