3-Octanol | CAS No. 589-98-0

3-Octanol

Basic Information

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CAS Number

589-98-0

Molecular Formula

C8H18O

Molecular Weight

130.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-45 °C

Boiling Point

174-176 °C

Refractive Index

n20/D 1.426(lit.)

Vapor Pressure

~1 mmHg ( 20 °C)

SMILES

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CCCCCC(O)CC

InChI

InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3

InChIKey

NMRPBPVERJPACX-UHFFFAOYSA-N

LogP

2.3376

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

52.5

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

Octan-3-ol
3-Octanol
ethylpentylcarbinol
n-Amyl ethyl carbinol~Ethyl n-pentyl carbinol
3 OCTANOL
Amylethylcarbinol
D-n-Octanol
Ethylamylcarbinol
Ethyl-n-amylcarbinol
n-Octan-3-ol
Octanol-3
3-Octyl Alcohol

MDL Number

MFCD00004590

FAQ

What are the physical and chemical properties of 3-Octanol (CAS: 589-98-0)?

3-Octanol is a colorless to light yellow liquid with a mild, sweet odor. It has a molecular weight of approximately 138.24 g/mol. 3-Octanol is moderately soluble in water but soluble in organic solvents like ethanol and acetone. It is mildly reactive with strong oxidizing agents and has a boiling point of 213°C and a melting point of -31°C.

How is 3-Octanol (CAS: 589-98-0) typically synthesized?

3-Octanol is commonly synthesized via the hydroformylation of 3-octene, where 3-octene reacts with carbon monoxide and hydrogen in the presence of a rhodium catalyst. The reaction is carried out under pressure and at elevated temperatures, typically yielding a product with a selectivity of over 90% for 3-octanol.

What industries use 3-Octanol (CAS: 589-98-0)?

3-Octanol is widely used in the pharmaceutical industry as a solubilizing agent and in the production of flavor and fragrance compounds. It is also utilized in the polymer industry for its solubilizing properties, in the manufacturing of semiconductors for its use in reactive ion etching, and in the production of sensors for its detection properties.

What precautions should be taken when handling 3-Octanol (CAS: 589-98-0)?

When handling 3-Octanol, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. It should be stored in a cool, dry place away from oxidizers and incompatible materials. Spills should be handled using appropriate spill kits, and the area should be ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.