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1,3-Adamantanediol Structure

1,3-Adamantanediol

Chemical Properties

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)
pka 14?+-.0.40(Predicted)
form  Solid
color  White to Off-White
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)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H302+H312+H332
Precautionary statements P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
WGK Germany  3
HazardClass  IRRITANT
HS Code  29061990
NFPA 704:
1
0 0

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