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5001-18-3

Name 1,3-Dihydroxyadamantane
CAS 5001-18-3
Molecular Formula C10H16O2
MDL Number MFCD00154013
Molecular Weight 168.23
MOL File 5001-18-3.mol
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Chemical Properties

Appearance white crystal
Melting point  ~260 °C
Boiling point  320.4±10.0 °C(Predicted)
density  1.368±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 14?+-.0.40(Predicted)
color  White to Off-White
Detection Methods HPLC,NMR,MS
BRN  7013501
InChI InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2
InChIKey MOLCWHCSXCKHAP-UHFFFAOYSA-N
SMILES C12(O)CC3CC(CC(O)(C3)C1)C2
CAS DataBase Reference 5001-18-3(CAS DataBase Reference)

Safety Data

WGK Germany  3
HazardClass  IRRITANT
HS Code  29061990

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