Ethyl 3-hydroxybutanoate

Basic Information

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CAS Number

5405-41-4

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

170 °C

Refractive Index

n20/D 1.42(lit.)

SMILES

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CCOC(=O)CC(C)O

InChI

InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3

InChIKey

OMSUIQOIVADKIM-UHFFFAOYSA-N

LogP

0.3204000000000001

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

90.3

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

Ethyl 3-hydroxybutanoate
3-Hydroxybutyric acid ethylester
Ethyl DL-3-Hydroxybutyrate
3-hydroxy Butanoic acid ethyl ester
Butyric acid, 3-hydroxy-, ethyl ester
Ethyl 3-hydroxybutyrate
Butyric acid, &#946
CH3CH(OH)CH2C(O)OC2H5
dl-&#946
DL-3-Hydroxy-n-butyrate ethyl ester
Ethyl &#946
ethyl 3-hydro
Ethyl beta-hydroxybutyrate
Ethyl-dl-&#946
Ethyl-dl-beta-hydroxy n-butyrate
-hydroxy n-butyrate
-hydroxy-, ethyl ester
-hydroxybutyrate
-Hydroxy-n-butyric acid ethyl ester
NSC 42916
NSC 8115
DL-3-Hydroxybutyric Acid Ethyl Ester
3-Hydroxy-butanoic acid ethyl ester
Butanoic acid, 3-hydroxy-, ethyl ester
FEMA No. 3428
Ethyl (R)-(-)-3-hydroxybutyrate
Ethyl 3-hydroxybutyrate (natural)
Ethyl (1)-3-hydroxybutyrate
OMSUIQOIVADKIM-UHFFFAOYSA-N
Ethyl3-hydroxybutyrate
grape butyrate

MDL Number

MFCD00004545

Customs Code

29181980

FAQ

What is Ethyl 3-hydroxybutanoate (CAS: 5405-41-4)?

Ethyl 3-hydroxybutanoate is a chemical compound with the formula C6H12O3. It is a colorless liquid characterized by a mild, fruity odor. This ester contains a hydroxyl group on the third carbon of the butanoate chain, making it useful in various chemical applications. It is soluble in organic solvents and has moderate solubility in water.

What are the main uses of Ethyl 3-hydroxybutanoate (CAS: 5405-41-4)?

Ethyl 3-hydroxybutanoate is primarily used in the pharmaceutical industry as an intermediate in drug synthesis. It also serves as a flavoring agent in the food industry due to its pleasant aroma. Additionally, it finds applications in research for organic chemistry and industrial processes involving esterification reactions.

Is Ethyl 3-hydroxybutanoate (CAS: 5405-41-4) safe?

Ethyl 3-hydroxybutanoate is generally considered safe when handled properly. It has low toxicity but may cause skin or eye irritation. Safety precautions include wearing protective gloves, goggles, and ensuring adequate ventilation. Always follow established safety standards for chemical handling and disposal.

How should Ethyl 3-hydroxybutanoate (CAS: 5405-41-4) be stored?

Ethyl 3-hydroxybutanoate should be stored in a cool, dry place, away from light and moisture. Keep in a tightly sealed container to maintain stability. Storage conditions should be controlled to prevent degradation, typically below 25°C and with humidity levels below 60%.