3-Methyl-1,5-pentanediol

Basic Information

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CAS Number

4457-71-0

Molecular Formula

C6H14O2

Molecular Weight

118.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-60°C

Boiling Point

150°C/25mmHg

Refractive Index

n20/D 1.454

SMILES

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OCCC(C)CCO

InChI

InChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3

InChIKey

SXFJDZNJHVPHPH-UHFFFAOYSA-N

LogP

0.38730000000000003

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

39.8

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3-Methyl-1,5-pentanediol
3-Methyl-1,5-Pentandiol
3-Methyl-1.5-pentanediol
3-methylpentane-1,5-diol
1,5-Dihydroxy-3-methylpentane
3-Methylpentane-1,5-diol

MDL Number

MFCD00039547

Customs Code

2905399090

FAQ

What are the physical and chemical properties of 3-Methyl-1,5-pentanediol (CAS: 4457-71-0)?

3-Methyl-1,5-pentanediol is a colorless, clear liquid with a slight odor. Its molecular weight is approximately 132.23 g/mol. It is miscible with water and other polar solvents. It is moderately reactive, especially with strong acids and bases. It has a boiling point of around 164°C and a melting point of -17°C.

How is 3-Methyl-1,5-pentanediol (CAS: 4457-71-0) typically synthesized?

3-Methyl-1,5-pentanediol is synthesized via the reduction of 3-methyl-1,5-pentanedione using various reducing agents such as sodium borohydride. The reaction is often performed in a polar aprotic solvent like dimethylformamide (DMF) at room temperature. The process yields a product with high selectivity and good yield.

What industries use 3-Methyl-1,5-pentanediol (CAS: 4457-71-0)?

3-Methyl-1,5-pentanediol is used in pharmaceuticals for the synthesis of certain drugs, as a component in polymer manufacturing to improve physical properties, and in the production of sensors and semiconductors due to its reactive functional groups and good solubility.

What precautions should be taken when handling 3-Methyl-1,5-pentanediol (CAS: 4457-71-0)?

When handling 3-Methyl-1,5-pentanediol, use appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Store it in a cool, well-ventilated area, away from strong acids and bases. In case of a spill, use appropriate spill kits and follow safety data sheet (SDS) guidelines for disposal. Always work in a fume hood to minimize exposure.