Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, (3S)-

CAS Registry Number®

86728-85-0

CAS Name

Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, (3S)-

Molecular Formula

C6H11ClO3

Molecular Mass

166.60

Cite this Page

Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, (3S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86728-85-0 (retrieved 2024-11-22) (CAS RN: 86728-85-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    95 °C @ Press: 3 Torr

  • Density (2)

    1.0297 g/cm³ @ Temp: 25.00 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1

InChIKey

InChIKey=ZAJNMXDBJKCCAT-YFKPBYRVSA-N

SMILES

C(C(OCC)=O)[C@@H](CCl)O

Canonical SMILES

O=C(OCC)CC(O)CCl

Other Names for this Substance

  • Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, (3S)-
  • Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, (S)-
  • Ethyl (3S)-4-chloro-3-hydroxybutanoate
  • Ethyl (S)-γ-chloro-β-hydroxybutyrate
  • Ethyl (3S)-4-chloro-3-hydroxybutyrate

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