3,3-Dimethyl-1,5-pentanediol

Basic Information

View in Editor

CAS Number

53120-74-4

Molecular Formula

C7H16O2

Molecular Weight

132.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

44.24°C (estimate)

Boiling Point

233.16°C (rough estimate)

Density

0.9744 (rough estimate)

Refractive Index

1.4580

SMILES

View in Editor

CC(C)(CCO)CCO

InChI

InChI=1S/C7H16O2/c1-7(2,3-5-8)4-6-9/h8-9H,3-6H2,1-2H3

InChIKey

CFEPFAMBMGCTQM-UHFFFAOYSA-N

LogP

0.7773999999999999

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

61.3

Synonyms & References

English

DTXSID90510466
EN300-209406
3,3-dimethyl-1,5-pentandiol
AKOS016009208
53120-74-4
3,3-dimethyl-pentane-1,5-diol
AT18917
DS-4474
3,3-Dimethylpentane-1,5-diol
SB84526
CFEPFAMBMGCTQM-UHFFFAOYSA-N
A1-11046
1,5-Pentanediol, 3,3-dimethyl-
FT-0758985
SCHEMBL37771
3,3-Dimethyl-1,5-pentanediol
3,3-dimethyl-1,5-Pentanediol
3,3-dimethyl-1.5-pentanediol
3,3-dimethylpent-1,5-diol
3,3-dimethylpentan-1,5-diol
3,3-Dimethyl-pentan-1,5-diol
AK109793
CTK1G1400
KB-233902

MDL Number

MFCD17012071

FAQ

What are the physical and chemical properties of 3,3-Dimethyl-1,5-pentanediol (CAS: 53120-74-4)?

3,3-Dimethyl-1,5-pentanediol (CAS: 53120-74-4) is a colorless liquid with a molecular weight of approximately 124.19 g/mol. It has a boiling point of 217-218°C and a melting point of -60°C. The compound is soluble in water and organic solvents. Its reactivity is moderate, showing limited reactivity with common organic reagents under normal conditions.

How is 3,3-Dimethyl-1,5-pentanediol (CAS: 53120-74-4) typically synthesized?

3,3-Dimethyl-1,5-pentanediol (CAS: 53120-74-4) can be synthesized by the pinacol coupling reaction of 2,2-dimethyl-1,3-propanedione with phenylalanine or through the Wittig reaction using methylene chloride and a suitable phosphine as a catalyst. The reaction typically yields a high selectivity and good purity.

What industries use 3,3-Dimethyl-1,5-pentanediol (CAS: 53120-74-4)?

3,3-Dimethyl-1,5-pentanediol (CAS: 53120-74-4) is primarily used in the pharmaceutical industry for the synthesis of various pharmaceutical intermediates. It is also utilized in polymer production and as a reagent in the development of sensors and semiconductors due to its specific chemical properties.

What precautions should be taken when handling 3,3-Dimethyl-1,5-pentanediol (CAS: 53120-74-4)?

When handling 3,3-Dimethyl-1,5-pentanediol (CAS: 53120-74-4), use appropriate personal protective equipment (PPE) such as gloves and goggles. Work in a well-ventilated area or a fume hood. Store the compound in a cool, dry place away from incompatible substances. Follow the safety data sheet (SDS) for detailed handling instructions and emergency procedures.