3-Methyl-1,3-butanediol

Basic Information

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CAS Number

2568-33-4

Molecular Formula

C5H12O2

Molecular Weight

104.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

50.86°C (estimate)

Boiling Point

203°C

Refractive Index

n20/D 1.442

SMILES

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CC(C)(O)CCO

InChI

InChI=1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3

InChIKey

XPFCZYUVICHKDS-UHFFFAOYSA-N

LogP

0.13970000000000005

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

1,3-Butanediol,3-methyl-
3-hydroxy-3-methylbutanol
3-METHYL-1,3-BUTANEDIOL
3-methylbutane-1,3-diol
(±)-2-Methyl-1-butanol
(S)-2-isobutyl-4,4-dimethyl-1,3-dioxane
1,3-Butanediol,3-methyl
2-Methyl-2,4-butanediol
3-methyl-butane-1,3-diol
UNII-19NOL5474Q
1,1-Dimethyl-1,3-propanediol
Isopentyl diol
Isoprene glycol
NSC 62084
2,4-dihydroxy-2-methylbutane

MDL Number

MFCD00059655

Customs Code

29053995

FAQ

What are the physical and chemical properties of 3-Methyl-1,3-butanediol (CAS: 2568-33-4)?

3-Methyl-1,3-butanediol (CAS: 2568-33-4) is a colorless, slightly viscous liquid with a boiling point of 160.8°C. It has a molecular weight of 102.14 g/mol and is moderately soluble in water. It is reactive, particularly in acidic and basic conditions, and can undergo esterification and etherification reactions.

How is 3-Methyl-1,3-butanediol (CAS: 2568-33-4) typically synthesized?

3-Methyl-1,3-butanediol is typically synthesized by the reduction of 3-methyl-1,3-butenedione using hydrogen gas over a palladium catalyst. The reaction is carried out under mild conditions and provides good selectivity and yield.

What industries use 3-Methyl-1,3-butanediol (CAS: 2568-33-4)?

3-Methyl-1,3-butanediol (CAS: 2568-33-4) is used in the pharmaceutical industry for the synthesis of drugs, in the polymer industry for the production of polyurethane materials, and in the sensor industry for the development of gas sensors. It is also used in the semiconductor industry for cleaning processes.

What precautions should be taken when handling 3-Methyl-1,3-butanediol (CAS: 2568-33-4)?

Proper personal protective equipment (PPE) such as gloves and safety goggles should be worn when handling 3-Methyl-1,3-butanediol (CAS: 2568-33-4). It should be stored in a well-ventilated area and handled using appropriate safety measures as outlined in the Safety Data Sheet (SDS). Fume hoods should be used during preparation to minimize inhalation risks.