4-Methyl-4-penten-1-ol

Basic Information

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CAS Number

22508-64-1

Molecular Formula

C6H12O

Molecular Weight

100.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

22.55°C (estimate)

Boiling Point

147 ºC

Flash Point

57 ºC

Refractive Index

1.4289 (estimate)

SMILES

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CC(=C)CCCO

InChI

InChI=1S/C6H12O/c1-6(2)4-3-5-7/h7H,1,3-5H2,2H3

InChIKey

LOFHPLKGPULNQP-UHFFFAOYSA-N

LogP

1.335

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

57.2

Synonyms & References

English

4-methyl-4-pentenol
4-Methylpent-4-ene-1-ol
FT-0735255
DG4X78WZ6A
4-METHYL-4-PENTEN-1-OL
4-Penten-1-ol, 4-methyl-
BS-24898
NS00027204
EN300-108545
UNII-DG4X78WZ6A
SCHEMBL466793
AKOS006274837
DTXSID10177030
YSWG270
EINECS 245-046-4
A902270
MFCD00046021
LOFHPLKGPULNQP-UHFFFAOYSA-N
22508-64-1
F1913-0541
CS-0132697
4-methylpent-4-en-1-ol
4-Penten-1-ol,4-methyl-
4-Penten-1-ol,4-methyl

MDL Number

MFCD00046021

Customs Code

2905290000

FAQ

What are the physical and chemical properties of 4-Methyl-4-penten-1-ol (CAS: 22508-64-1)?

4-Methyl-4-penten-1-ol, also known as 4-methyl-4-pentenol, is a colorless liquid with a fruity aroma. It has a molecular weight of 112.19 g/mol and a boiling point of 134.6°C. It is slightly soluble in water but miscible with most organic solvents. This compound is moderately reactive, particularly with strong acids and bases. It forms crystalline solids at lower temperatures and has a melting point of -27°C.

How is 4-Methyl-4-penten-1-ol (CAS: 22508-64-1) typically synthesized?

4-Methyl-4-penten-1-ol is usually synthesized via the reduction of 4-methyl-4-pentenal. This is typically achieved using lithium aluminum hydride (LAH) or sodium borohydride as the reducing agent. The process yields a high selectivity towards the alcohol formation. The reaction is carried out in anhydrous conditions to avoid side reactions and achieve a yield of around 80-90%.

What industries use 4-Methyl-4-penten-1-ol (CAS: 22508-64-1)?

4-Methyl-4-penten-1-ol is utilized in the pharmaceutical industry for its use as a precursor in the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer in the production of special resins. Additionally, it is used in the fragrance and flavor industry due to its fruity aroma. Furthermore, it plays a role in the development of sensor technologies and semiconductor manufacturing processes.

What precautions should be taken when handling 4-Methyl-4-penten-1-ol (CAS: 22508-64-1)?

When handling 4-Methyl-4-penten-1-ol, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Handling should be performed in a well-ventilated area or fume hood to avoid inhalation. In case of spills, immediately clean up with absorbent material and dispose of it properly. Always refer to the safety data sheet (SDS) for detailed emergency procedures and storage guidelines.