2-Ethylhexanoic acid

Basic Information

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CAS Number

149-57-5

Molecular Formula

C8H16O2

Molecular Weight

144.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

-59 ºC

Boiling Point

228 °C

Water Solubility

2 g/L (20 ºC)

Solubility

1.4g/l

Refractive Index

n20/D 1.425(lit.)

Vapor Pressure

<0.01 mmHg ( 20 °C)<br />10 mmHg ( 115 °C)

SMILES

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CCCCC(CC)C(=O)O

InChI

InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

InChIKey

OBETXYAYXDNJHR-UHFFFAOYSA-N

LogP

2.2874

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

99.4

Safety Information

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GHS Hazard Pictograms

H312

H318

H361

Hazard Statement

H312 Harmful in contact with skin
Acute toxicity, dermal

H318 Causes serious eye damage
Serious eye damage/eye irritation

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 8 Class 8

Stability

Stable. Combustible. Incompatible with strong oxidizing agents, reducing agents, bases.

Sensitiveness

Sensitive to humidity

Explosive Limit

1.04%, 135°F

Synonyms & References

English

2-Ethylhexanoic acid
2-BUTYLBUTANOIC ACID
(+/-)-2-ETHYLHEXANOIC ACID
2-ETHYLHEXOIC ACID
3-HEPTANECARBOXYLIC ACID
A-ETHYLCAPROIC ACID
ALPHA-ETHYLCAPROIC ACID
BUTYLETHYLACETIC ACID
CARBOXYLIC ACID C8
ETHYLBUTYLACETIC ACID
OCTANOIC ACID
RARECHEM AL BE 0136
(RS)-2-Ethylhexansαure
2-Ethyl-1-hexanoic acid
2-ethylhexanoic
2-ethylhexanoicacid(eha)
2-ethyl-hexansyra
2-Ethylcaproic acid
(±)-2-Ethylhexanoic acid
2-ethyl-hexanoic acid
2-Ethylhexanoic acid1000µg
Carboxylic acid
Ethylhexanoic acid
Ethylhexoic acid
Isocaprylic acid
Neodymoctic acid
α-Ethylcaproic acid
Caproicacid, a-ethyl- (4CI)
(?à)-2-Ethylhexanoic acid
NSC8881
Octylic acid

MDL Number

MFCD00002675

Customs Code

29159080

FAQ

What is 2-Ethylhexanoic acid (CAS: 149-57-5)?

2-Ethylhexanoic acid (CAS: 149-57-5) is a long-chain carboxylic acid with the chemical formula C8H16O2. It is a colorless liquid with a faint, waxy odor, characterized by its low water solubility and high boiling point. Commonly used as a precursor in the synthesis of plasticizers, it plays a key role in polymer science and industrial chemistry due to its stability and reactivity.

What are the main uses of 2-Ethylhexanoic acid (CAS: 149-57-5)?

2-Ethylhexanoic acid (CAS: 149-57-5) is primarily used in the pharmaceutical industry for drug formulation and as a component in coatings, inks, and adhesives. It serves as a key raw material in the production of plasticizers like di(2-ethylhexyl) phthalate. Additionally, it is employed in research for developing biodegradable materials and in food-grade applications as a flavoring agent, though its use in this area is limited.

Is 2-Ethylhexanoic acid (CAS: 149-57-5) safe?

2-Ethylhexanoic acid (CAS: 149-57-5) is generally considered safe when handled properly, but it may cause mild skin or eye irritation. Its toxicity profile indicates low acute toxicity, though prolonged exposure should be avoided. Safety standards recommend using personal protective equipment (PPE) and following proper ventilation. It is not classified as a hazardous substance under major regulations but requires cautious handling to prevent adverse effects.

How should 2-Ethylhexanoic acid (CAS: 149-57-5) be stored?

2-Ethylhexanoic acid (CAS: 149-57-5) should be stored in a cool, dry place, preferably below 25°C, in airtight containers to prevent moisture absorption. It is sensitive to light, so storage in dark conditions is advisable. Maintain controlled humidity levels and ensure it is kept away from incompatible materials to preserve stability and safety.