Undecyl 6-bromohexanoate

Basic Information

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CAS Number

959040-06-3

Molecular Formula

C17H33BrO2

Molecular Weight

349.35 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

Boiling Point

382.0±25.0 °C(Predicted)

Density

1.072±0.06 g/cm3(Predicted)

SMILES

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CCCCCCCCCCCOC(=O)CCCCCBr

InChI

InChI=1S/C17H33BrO2/c1-2-3-4-5-6-7-8-9-13-16-20-17(19)14-11-10-12-15-18/h2-16H2,1H3

InChIKey

PSMKUXWNSBWYBS-UHFFFAOYSA-N

LogP

6.015700000000007

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

207

Synonyms & References

English

Hexanoic acid, 6-bromo-, undecyl ester
Undecyl 6-Bromohexanoate
Undecyl 6-bromohexanoate (ACI)
Undecyl 6-bromohexanoate
SCHEMBL19136437
HY-W440810
SY343052
6-Bromohexanoic acid, undecyl ester
CS-0435820
DB-174139
MFCD34178803
Undecyl 6-bromohexanoate #
PSMKUXWNSBWYBS-UHFFFAOYSA-N
BP-25611
959040-06-3
F75237

MDL Number

MFCD34178803

FAQ

What is Undecyl 6-bromohexanoate (CAS: 959040-06-3)?

Undecyl 6-bromohexanoate is a chemical compound with the CAS number 959040-06-3. It is an ester consisting of an undecyl group and a 6-bromo-hexanoic acid group. This compound has a distinctive odor and is used in various applications due to its specific chemical properties.

What are the main uses of Undecyl 6-bromohexanoate (CAS: 959040-06-3)?

Undecyl 6-bromohexanoate is primarily used in the pharmaceutical and cosmetic industries as a surfactant and emulsifier. It also finds applications in research and development for its unique properties, such as solubility and stability.

Is Undecyl 6-bromohexanoate (CAS: 959040-06-3) safe?

Undecyl 6-bromohexanoate is generally considered safe for most applications, provided appropriate safety measures are taken. It is important to follow handling guidelines, including the use of personal protective equipment and proper storage conditions to minimize exposure and risks.

How should Undecyl 6-bromohexanoate (CAS: 959040-06-3) be stored?

Undecyl 6-bromohexanoate should be stored in a cool, dry place away from direct sunlight and heat sources. The container should be tightly sealed to prevent moisture and contamination. It is recommended to store it at temperatures below 25°C to maintain its stability and purity.