39269-10-8

Name 1,3-Adamantanedicarboxylic acid
CAS 39269-10-8
EINECS(EC#) 254-395-1
Molecular Formula C12H16O4
MDL Number MFCD00167790
Molecular Weight 224.25
MOL File 39269-10-8.mol

Chemical Properties

Melting point  276-278 °C (lit.)
Boiling point  380.6±15.0 °C(Predicted)
density  1.461±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Sparingly), Methanol (Slightly, Heated)
form  Solid
pka 4.24±0.40(Predicted)
color  White to Off-White
InChI InChI=1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)
InChIKey PAVQGHWQOQZQEH-UHFFFAOYSA-N
SMILES C12(C(O)=O)CC3CC(CC(C(O)=O)(C3)C1)C2
CAS DataBase Reference 39269-10-8(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
WGK Germany  3
RTECS  YD1994000
HS Code  29172090
Storage Class 11 - Combustible Solids

Hazard Information

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