4-Ethyloctanoic acid

Basic Information

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CAS Number

16493-80-4

Molecular Formula

C10H20O2

Molecular Weight

172.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

163 °C

Water Solubility

Slightly soluble in water(0.13 mg/mL). Soluble in hexane

Flash Point

212 ºF

Refractive Index

n20/D 1.439(lit.)

SMILES

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CCCCC(CC)CCC(=O)O

InChI

InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

InChIKey

PWKJMPFEQOHBAC-UHFFFAOYSA-N

LogP

3.0676000000000014

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

121

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Ethyloctanoic acid
4-Aethyl-caprylsaeure
4-Aethyl-octansaeure
4-Ethylcaprylic acid
4-ethyl-octanoic acid
4-Ethyl-octansaeure
Octanoic acid,4-ethyl
FEMA 3800
4-ethyl-octanoicaci
Octanoicacid,4-ethyl-
4-Ethyl ocatanoic acid
4-Ethyloctanoicacid
4-Ethylcaprylicacid
Octanoic acid, 4-ethyl-
4-ethyl octanoic acid
KSC175O1L
Jsp003311
PWKJMPFEQOHBAC-UHFFFAOYSA-N
BCP25734
SBB067105
LMFA01030983
TRA0043285
SY060410
R586
AX8018745
AB1006092
AB0018219
ST2402

MDL Number

MFCD00506494

Customs Code

2915900090

FAQ

What are the physical and chemical properties of 4-Ethyloctanoic acid (CAS: 16493-80-4)?

4-Ethyloctanoic acid is a colorless or light yellow liquid with a pungent odor. Its molecular weight is 170.24 g/mol. It has a melting point of -32°C and a boiling point of 283°C. It is slightly soluble in water but miscible with organic solvents like ethanol and acetone. It is reactive, forming esters and amides easily under basic conditions.

How is 4-Ethyloctanoic acid (CAS: 16493-80-4) typically synthesized?

4-Ethyloctanoic acid is typically synthesized by the hydrolysis of ethyl 8-oxooctanoate, which is obtained by the reaction of 1-oxooctanoic anhydride with ethanol. The synthesis involves basic hydrolysis under controlled conditions to yield the desired acid with good yield and selectivity.

What industries use 4-Ethyloctanoic acid (CAS: 16493-80-4)?

4-Ethyloctanoic acid is used in the pharmaceutical industry for the synthesis of certain drugs, and in the polymer industry for producing copolymers. It also finds applications in the production of sensors and as a reagent in organic synthesis. Its use in semiconductors is limited.

What precautions should be taken when handling 4-Ethyloctanoic acid (CAS: 16493-80-4)?

Handling 4-Ethyloctanoic acid should be done in a well-ventilated area and with appropriate personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a closed container away from heat and sources of ignition. In case of a spill, it should be handled according to the Material Safety Data Sheet (MSDS/SDS).