Ethyl (<i>S</i>)-(+)-3-Hydroxybutyrate , >96.0%(GC) , 56816-01-4

Synonym(s):
Ethyl (3S)-3-hydroxybutanoate

CAS NO.：56816-01-4

Empirical Formula: C6H12O3

Molecular Weight: 132.16

MDL number: MFCD00066206

EINECS: 260-393-1

PRODUCT Properties

• alpha: 43 º (C=1, CHLOROFORM)
• Boiling point: 180-182 °C (lit.)
• Density: 1.012 g/mL at 20 °C (lit.)
• refractive index: n20/D 1.421(lit.)
• Flash point: 148 °F
• storage temp.: Sealed in dry,Room Temperature
• solubility: Soluble in chloroform
• form: Liquid
• pka: 14.45±0.20(Predicted)
• color: Colorless to Yellow
• optical activity: [α]20/D +43°, c = 1 in chloroform
• BRN: 2347951
• InChI: InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m0/s1
• InChIKey: OMSUIQOIVADKIM-YFKPBYRVSA-N
• SMILES: C(OCC)(=O)C[C@@H](O)C
• LogP: -0.019 (est)
• CAS DataBase Reference: 56816-01-4(CAS DataBase Reference)

Description and Uses

Ethyl (S)-3-hydroxybutyrate is a chiral building block for the preparation of bioactive compounds such as pheromones and carbapenem antibiotics.

Ethyl (S)-3-hydroxybutyrate may be used in the preparation of 3-(1′-hydroxyethyl)-2-azetidinones.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H227
• Precautionary statements: P210e-P280a-P370+P378a-P403+P235-P501a
• Safety Statements: 23-24/25
• WGK Germany: 3
• HS Code: 29181990