Ethyl 3-hydroxybutyrate

• Catalog Number: ACM5405414
• Product Name: Ethyl 3-hydroxybutyrate
• CAS: 5405-41-4
• Category: Heterocyclic Organic Compound
• Synonyms: Butanoic acid, 3-hydroxy-, ethyl ester
• IUPAC Name: Ethyl 3-hydroxybutanoate
• Molecular Weight: 132.16
• Molecular Formula: C6H12O3
• Canonical SMILES: CCOC(=O)CC(C)O
• InChI: InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
• InChI Key: OMSUIQOIVADKIM-UHFFFAOYSA-N
• Boiling Point: 170 °C
• Flash Point: 148 °F
• Density: 1.017 g/mL at 25 °C(lit.)
• Appearance: Clear colorless liquid
• Assay: 0.99
• Exact Mass: 132.078644241
• Monoisotopic Mass: 132.078644241
• Packaging: 25 kg/DRUMS
• Physical State: Liquid
• Refractive Index: n20/D 1.42(lit.)
• Safety Description: 23-24/25
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Dry place,2-8 °C
• Supplemental Hazard Statements: H227
• Topological Polar Surface Area: 46.5 Ų

Custom Q&A

What is the molecular formula of ethyl 3-hydroxybutyrate?

The molecular formula of ethyl 3-hydroxybutyrate is C6H12O3.

What is the molecular weight of ethyl 3-hydroxybutyrate?

The molecular weight of ethyl 3-hydroxybutyrate is 132.16 g/mol.

What is the IUPAC name of ethyl 3-hydroxybutyrate?

The IUPAC name of ethyl 3-hydroxybutyrate is ethyl 3-hydroxybutanoate.

What is the InChI of ethyl 3-hydroxybutyrate?

The InChI of ethyl 3-hydroxybutyrate is InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3.

What is the InChIKey of ethyl 3-hydroxybutyrate?

The InChIKey of ethyl 3-hydroxybutyrate is OMSUIQOIVADKIM-UHFFFAOYSA-N.

What is the canonical SMILES of ethyl 3-hydroxybutyrate?

The canonical SMILES of ethyl 3-hydroxybutyrate is CCOC(=O)CC(C)O.

What is the CAS number of ethyl 3-hydroxybutyrate?

The CAS number of ethyl 3-hydroxybutyrate is 5405-41-4.

What is the UNII number of ethyl 3-hydroxybutyrate?

The UNII number of ethyl 3-hydroxybutyrate is 52008C87PV.

What is the FEMA number of ethyl 3-hydroxybutyrate?

The FEMA number of ethyl 3-hydroxybutyrate is 3428.

What is the JECFA number of ethyl 3-hydroxybutyrate?

The JECFA number of ethyl 3-hydroxybutyrate is 594.