(S)-Methyl 3-hydroxybutanoate

• CAS: 53562-86-0
• Catalog Number: ACM53562860
• Category: Other Products
• Molecular Weight: 118.13
• Molecular Formula: C5H10O3
• Synonyms: (S)-(+)-3-Hydroxy-N-Butyric Acid Methyl Ester
• IUPAC Name: methyl (3S)-3-hydroxybutanoate
• Canonical SMILES: C[C@@H](CC(=O)OC)O
• InChI: InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1
• InChI Key: LDLDJEAVRNAEBW-BYPYZUCNSA-N
• Boiling Point: 161.9 °C at 760 mmHg
• Flash Point: 71.67 ℃
• Density: 1.071 g/mL at 25 °C(lit.)
• Appearance: Liquid
• EC Number: 258-628-8
• Exact Mass: 118.06300
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Refractive Index: 1.422
• Safety Description: S23-S24/25
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 186581-53-3
• 6168-83-8

• 53562-86-0

Reference: [1]Journal of the American Chemical Society,1994,vol. 116,p. 10403 - 10411
[2]Canadian Journal of Chemistry,1951,vol. 29,p. 678,688
[3]Journal of the American Chemical Society,1995,vol. 117,p. 4279 - 4287
[4]Tetrahedron,1990,vol. 46,p. 6553 - 6564

Downstream Synthesis Route 1

• 3756-30-7
• 53562-86-0

• 123408-35-5

Reference: [1]Beslin; Perrio
[Tetrahedron, 1991, vol. 47, # 32, p. 6275 - 6286]

* For details of the synthesis route, please refer to the original source to ensure accuracy.