4-hydroxybutyl acetate

Basic Information

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CAS Number

35435-68-8

Molecular Formula

C6H12O3

Molecular Weight

132.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

80 °C(Press: 2 Torr)

Density

1.0425 g/cm3

SMILES

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CC(=O)OCCCCO

InChI

InChI=1S/C6H12O3/c1-6(8)9-5-3-2-4-7/h7H,2-5H2,1H3

InChIKey

FLVQOAUAIBIIGO-UHFFFAOYSA-N

LogP

0.322

pKa

15.03±0.10(Predicted)

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

1-hydroxy-4-acetoxybutane
1,4-Butanediol, monoacetate
1,4-Butanediol, 1-acetate
acetic acid,butane-1,4-diol

MDL Number

MFCD29067763

FAQ

What regulatory guidelines apply to 4-hydroxybutyl acetate (CAS: 35435-68-8)?

4-Hydroxybutyl acetate (CAS: 35435-68-8) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), requiring appropriate hazard communication labels and safety data sheets (SDS). In the EU, it must comply with REACH regulations. For FDA and EPA purposes, it may be subject to specific toxicity and environmental impact assessments.

Are there alternatives to 4-hydroxybutyl acetate (CAS: 35435-68-8) in synthesis?

Yes, several alternatives can be used, such as butyl acetate or other esters. These can serve as effective substitutes in various synthetic processes, offering similar functionalities and properties.

What is the market or research trend for 4-hydroxybutyl acetate (CAS: 35435-68-8)?

The market trend for 4-hydroxybutyl acetate (CAS: 35435-68-8) is growing due to its use in personal care products and as a flavor and fragrance ingredient. Research is focusing on its biodegradability and potential in green chemistry applications.

How should waste containing 4-hydroxybutyl acetate (CAS: 35435-68-8) be handled?

Waste containing 4-hydroxybutyl acetate (CAS: 35435-68-8) should be collected in appropriate containers and disposed of through professional waste disposal services. Proper incineration or chemical neutralization methods should be employed to ensure environmental safety and compliance with local regulations.