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1-Adamantanecarboxylic acid Structure

1-Adamantanecarboxylic acid

Chemical Properties

Melting point 172-174 °C (lit.)
Boiling point 253.08°C (rough estimate)
Density  0.9976 (rough estimate)
refractive index  1.4910 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform, Methanol (Slightly)
form  Crystalline Powder
pka 4.86±0.20(Predicted)
color  White to off-white
Water Solubility  Insoluble in water. Solubility in methanol gives very faint turbidity. Soluble in ethanol, chloroform, and dichloromethane.
BRN  1910637
InChI InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)
InChIKey JIMXXGFJRDUSRO-UHFFFAOYSA-N
SMILES C12(C(O)=O)CC3CC(CC(C3)C1)C2
CAS DataBase Reference 828-51-3(CAS DataBase Reference)
NIST Chemistry Reference Adamantane-1-carboxylic acid(828-51-3)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  22-24/25-36-26
WGK Germany  3
RTECS  AU4452200
Hazard Note  Irritant
HS Code  29162000

MSDS

Usage And Synthesis

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