15291-66-4

Name 3,5,7-TRIMETHYLADAMANTANE-1-CARBOXYLIC ACID
CAS 15291-66-4
Molecular Formula C14H22O2
MDL Number MFCD00187581
Molecular Weight 222.32
MOL File 15291-66-4.mol

Chemical Properties

Melting point  139-141 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling point  334.8±10.0 °C(Predicted)
density  1.165±0.06 g/cm3(Predicted)
form  solid
pka 4.89±0.70(Predicted)
InChI 1S/C14H22O2/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(15)16/h4-9H2,1-3H3,(H,15,16)/t11-,12+,13-,14-
InChIKey DHIIUPVOLLOORM-YXSUXZIUSA-N
SMILES OC(C1(C[C@]23C)C[C@](C2)(C)C[C@](C3)(C)C1)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319-H335-H315
Precautionary statements  P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany  WGK 3
HazardClass  IRRITANT
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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