1,4-Pentadien-3-ol

Basic Information

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CAS Number

922-65-6

Molecular Formula

C5H8O

Molecular Weight

84.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

115-116 °C

Density

0.865 g/mL at 25 °C

Refractive Index

n20/D 1.445(lit.)

SMILES

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C=CC(C=C)O

InChI

InChI=1S/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2

InChIKey

ICMWSAALRSINTC-UHFFFAOYSA-N

LogP

0.7192999999999999

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

1,4-pentadien-3-ol
penta-1,4-dien-3-ol
Divinyl carbinol
1,4-Pentadien-3-ol, stabilized
3-Hydroxy-1,4-pentadiene
Diethenylmethyl alcohol
Divinylcarbinol
Divinylmethanol
Penta-1,4-dien-3-ol
1,4-Pentadien-3-ol, contains 0.4% hydroquinone as stabilizer, >=96%
CCRIS 8963
MFCD00008633
AKOS015915437
Penta1,4dien3ol
CS-0064552
A10932
STL557022
BBL103212
DTXSID00238922
DTXCID50161413
922-65-6
1,4-Pentadien-3-ol
EINECS 213-080-9
SY236737
divinylcarbinol
NS00039448
EN300-98370

MDL Number

MFCD00008633

FAQ

What are the physical and chemical properties of 1,4-Pentadien-3-ol (CAS: 922-65-6)?

1,4-Pentadien-3-ol is a colorless liquid with a molecular weight of 92.13 g/mol. It has a pungent odor and a boiling point of 117-118°C. The compound is soluble in water (30 g/L at 25°C) and miscible with ethanol and ether. It is chemically reactive, undergoing addition reactions and is prone to autoxidation.

How is 1,4-Pentadien-3-ol (CAS: 922-65-6) typically synthesized?

1,4-Pentadien-3-ol is often synthesized via the hydroxylation of 1,4-pentadiene using hydrogen peroxide in the presence of a catalyst such as sodium hydroxide. The reaction is carried out in a solvent like ethanol under mild conditions to achieve a yield of up to 90%.

What industries use 1,4-Pentadien-3-ol (CAS: 922-65-6)?

1,4-Pentadien-3-ol finds applications in the pharmaceutical industry for the preparation of certain drug intermediates. It is also used in the polymer industry as a monomer for the synthesis of specific types of polymers. Additionally, it has applications in the fragrance and flavor industry, and as a chemical reagent in analytical chemistry.

What precautions should be taken when handling 1,4-Pentadien-3-ol (CAS: 922-65-6)?

When handling 1,4-Pentadien-3-ol, it is important to wear appropriate personal protective equipment (PPE) such as safety goggles, gloves, and a lab coat. Use a fume hood during operations to minimize exposure. Store in a cool, well-ventilated place away from sources of ignition. In case of spills, contain with absorbent material and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.