CAS |
125-12-2 |
Structure |  |
Synonyms |
Isobornyl acetate |
IUPAC Name |
[(1S,2S,4S)-1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl] acetate |
Molecular Weight |
196.29 |
Canonical SMILES |
CC(=O)OC1CC2CCC1(C2(C)C)C |
InChI |
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m0/s1 |
InChI Key |
KGEKLUUHTZCSIP-JBLDHEPKSA-N |
Boiling Point |
229-233 °C |
Melting Point |
29 °C |
Flash Point |
190 °F |
Purity |
99% |
Density |
0.983 g/mL at 25 °C(lit.) |
Exact Mass |
196.146329876 |
Isomeric SMILES |
CC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C |
Monoisotopic Mass |
196.146329876 |
Physical State |
Liquid |
Refractive Index |
n20/D 1.4635(lit.) |
Storage Conditions |
Below +30 °C |
Topological Polar Surface Area |
26.3 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.