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Methyl (S)-(+)-3-hydroxybutyrate Structure

Methyl (S)-(+)-3-hydroxybutyrate

Chemical Properties

alpha  21.5 º (c=neat)
Boiling point 63 °C10 mm Hg(lit.)
Density  1.071 g/mL at 25 °C(lit.)
refractive index  n20/D 1.422
Flash point 161 °F
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
form  Liquid
pka 13.95±0.20(Predicted)
color  Clear colorless
Odor fruity
optical activity [α]20/D +50±2°, c = 1.3% in chloroform stab. with amylenes
Water Solubility  Miscible with alcohol. Immiscible with water.
BRN  1720583
InChI 1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1
InChIKey LDLDJEAVRNAEBW-BYPYZUCNSA-N
SMILES COC(=O)C[C@H](C)O
LogP -0.551 (est)
CAS DataBase Reference 53562-86-0(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 3-hydroxy-, methyl ester, (S)-(53562-86-0)

Safety Information

Risk Statements  38-41
Safety Statements  23-24/25
RIDADR  UN3265
WGK Germany  3
HS Code  29181990
Storage Class 10 - Combustible liquids

MSDS

Usage And Synthesis

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