53562-86-0

Name Methyl (S)-(+)-3-hydroxybutyrate
CAS 53562-86-0
EINECS(EC#) 258-628-8
Molecular Formula C5H10O3
MDL Number MFCD00064461
Molecular Weight 118.13
MOL File 53562-86-0.mol
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Chemical Properties

Appearance clear colorless liquid
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
Fp  161 °F
storage temp.  0-6°C
form  Liquid
pka 13.95±0.20(Predicted)
color  Clear colorless
Odor fruity
Optical Rotation [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)
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Safety Data

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H227-H315-H318
Precautionary statements  P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P310-P403+P235-P501-P280b-P305+P351+P338-P310
Risk Statements 
R38:Irritating to the skin.
R41:Risk of serious damage to eyes.
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
RIDADR  UN3265
WGK Germany  3
HS Code  29181990
Storage Class 10 - Combustible liquids

Hazard Information

Material Safety Data Sheet(MSDS)

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