39746-00-4

Name (3aR,4S,5R,6aS)-(-)-5-(Benzoyloxy)-hexahydro-4(-hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CAS 39746-00-4
EINECS(EC#) 254-615-6
Molecular Formula C15H16O5
MDL Number MFCD00674102
Molecular Weight 276.28
MOL File 39746-00-4.mol

Chemical Properties

Appearance Colorless crystalline powder
Melting point  116-120 °C
alpha  -80 º (c=0.8, CHCl3 25 ºC)
Boiling point  379.19°C (rough estimate)
density  1.2379 (rough estimate)
refractive index  1.5000 (estimate)
storage temp.  -20°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 14.79±0.10(Predicted)
color  White to Pale Yellow
InChI InChI=1S/C15H16O5/c16-8-11-10-6-14(17)19-12(10)7-13(11)20-15(18)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2/t10-,11-,12+,13-/m1/s1
InChIKey OBRRYUZUDKVCOO-FVCCEPFGSA-N
SMILES O1C(=O)C[C@]2([H])[C@@H](CO)[C@H](OC(=O)C3=CC=CC=C3)C[C@]12[H]
CAS DataBase Reference 39746-00-4(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
HS Code  29321900

Hazard Information

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