17-(tert-Butoxy)-17-oxoheptadecanoic acid

Basic Information

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CAS Number

905302-44-5

Molecular Formula

C21H40O4

Molecular Weight

356.55 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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CC(C)(C)OC(=O)CCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C21H40O4/c1-21(2,3)25-20(24)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(22)23/h4-18H2,1-3H3,(H,22,23)

InChIKey

KCUYTEIVSXQFKX-UHFFFAOYSA-N

LogP

6.264200000000006

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

344

Synonyms & References

English

Heptadecanedioic acid, mono(1,1-dimethylethyl) ester
Heptadecanedioic acid mono-tert-butyl ester
AMY030
Heptadecanedioic acid, mono(1,1-dimethylethyl) ester (9CI)
AK00742140
17-(Tert-Butoxy)-17-oxoheptadecanoic acid
1-(1,1-Dimethylethyl) heptadecanedioate (ACI)
1-(1,1-Dimethylethyl) heptadecanedioate
D80457
SCHEMBL557403
905302-44-5
Heptadecanedioic acid mono(1,1-dimethylethyl) ester
17-[(2-methylpropan-2-yl)oxy]-17-oxoheptadecanoic acid
KCUYTEIVSXQFKX-UHFFFAOYSA-N
AKOS037649409
MFCD30737822
BS-18228
CS-0162589
17-(tert-Butoxy)-17-oxoheptadecanoic acid
SY358407
DTXSID701280359

MDL Number

MFCD30737822

FAQ

What is 17-(tert-Butoxy)-17-oxoheptadecanoic acid (CAS: 905302-44-5)?

17-(tert-Butoxy)-17-oxoheptadecanoic acid is an organic compound with CAS number 905302-44-5. It is a fatty acid derivative with a unique structure that includes a tert-butoxy group and a carboxylic acid group attached to a heptadecane backbone. It is typically colorless or white crystalline powder with a specific odor and is soluble in organic solvents.

What are the main uses of 17-(tert-Butoxy)-17-oxoheptadecanoic acid (CAS: 905302-44-5)?

17-(tert-Butoxy)-17-oxoheptadecanoic acid is primarily used in pharmaceuticals as a starting material for the synthesis of various drug intermediates. It also finds applications in research for studying fatty acid derivatives and their biological activities. Additionally, it is used in the synthesis of certain types of surfactants and emulsifiers.

Is 17-(tert-Butoxy)-17-oxoheptadecanoic acid (CAS: 905302-44-5) safe?

17-(tert-Butoxy)-17-oxoheptadecanoic acid is generally considered safe for laboratory use under proper handling conditions. However, it is important to follow safety guidelines, such as wearing appropriate protective equipment, ensuring good ventilation, and storing it in a cool, dry place away from direct sunlight. Ingestion or inhalation should be avoided, and contact with skin or eyes should be minimized.

How should 17-(tert-Butoxy)-17-oxoheptadecanoic acid (CAS: 905302-44-5) be stored?

17-(tert-Butoxy)-17-oxoheptadecanoic acid should be stored in a cool, dry place to prevent degradation due to moisture and heat. It should be kept away from direct sunlight and stored in a well-ventilated area. The compound should be stored in a tightly sealed container to protect it from air and moisture. It is recommended to store it at room temperature (15-25°C) to maintain its stability and efficacy.