3-Pentanol | CAS No. 584-02-1

3-Pentanol

Basic Information

View in Editor

CAS Number

584-02-1

Molecular Formula

C5H12O

Molecular Weight

88.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-8°C

Boiling Point

116°C

Water Solubility

5.5 g/100 mL (30 ºC)

Solubility

Soluble in acetone, benzene, ethanol and diethyl ether.

Refractive Index

n20/D 1.410(lit.)

SMILES

View in Editor

CCC(O)CC

InChI

InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

InChIKey

AQIXEPGDORPWBJ-UHFFFAOYSA-N

LogP

1.1673

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

23.1

Safety Information

View Safety Information

GHS Hazard Pictograms

H226

H302

H315

H319

H332

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class 3 Class 3

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Explosive Limit

1.2-8%(V)

Synonyms & References

English

3-HYDROXYPENTANE
3-PENTANOL
DIETHYL CARBINOL
SEC-AMYL ALCOHOL
SEC-INACT-AMYLALCOHOL
SEC-INACT-PENTYL ALCOHOL
(C2H5)2CHOH
1-ethyl-1-propanol
3-Pentyl alcohol
alcool3-pentylique
diethylcarbinol(3-pentanol)
Pentan-3-ol
pentanol(non-specificname)
Pentanol-3
so-Amylalcohol
pentanol,3-pentanol
Pentane-3-ol
3-Pentanolneat
Ethanol Impurities Solution A Internal Standard
1-ethylpropanol
3-Hydroxy-pentan-2,4-dion
3-hydroxy-pentane-2,4-dione
methylbutan-2-ol
n-pentan-3-ol
sec-inact.-Pentyl alcohol
Diethylcarbinol
Diethyl carbinol
3-Pentanol

MDL Number

MFCD00004574

Customs Code

29051500

FAQ

What are the physical and chemical properties of 3-Pentanol (CAS: 584-02-1)?

3-Pentanol (CAS: 584-02-1) is a colorless liquid with a mild, fruity odor. It has a molecular weight of 88.15 g/mol and a boiling point of 128.3 °C. The compound is moderately soluble in water but miscible with most organic solvents. It is slightly reactive, particularly in the presence of acids and bases. It is used as a solvent, intermediate, and fragrance ingredient.

How is 3-Pentanol (CAS: 584-02-1) typically synthesized?

3-Pentanol is commonly synthesized via reduction of 3-pentyn-1-ol using hydrogen and a catalyst such as palladium on carbon. Another method involves the hydration of propionaldehyde using water and a suitable acid catalyst like sulfuric acid. The yield and selectivity can be quite high, depending on the reaction conditions.

What industries use 3-Pentanol (CAS: 584-02-1)?

3-Pentanol is widely used in the perfume and fragrance industry as a flavor and aroma compound. It is also employed in the pharmaceutical industry for the synthesis of certain compounds. Additionally, it is used in the chemical industry as a solvent and in polymer production for its miscibility with various organic solvents.

What precautions should be taken when handling 3-Pentanol (CAS: 584-02-1)?

When handling 3-Pentanol (CAS: 584-02-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents. Always consult the safety data sheet (SDS) for detailed information on handling and storage procedures.