CAS Registry Number®
86728-85-0
CAS Name
Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, (3S)-
Molecular Formula
C6H11ClO3
Molecular Mass
166.60
Compound Properties
-
Boiling Point (1)
95 °C @ Press: 3 Torr
-
Density (2)
1.0297 g/cm³ @ Temp: 25.00 °C
Source(s)
- (1) Jiang, Biao; Journal of Organic Chemistry, (2003), 68(6), 2376-2384, CAplus
- (2) Kimura, Takayoshi; Chirality, (2006), 18(8), 581-586, CAplus
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
