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Polysantol
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Polysantol

CAS 107898-54-4
Structure
IUPAC Name (E)-3,3-Dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
Molecular Weight 222.37
Canonical SMILES CC1=CCC(C1(C)C)C=CC(C)(C)C(C)O
InChI InChI=1S/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3/b10-9+
InChI Key QZFSNJAQFWEXEA-MDZDMXLPSA-N
Boiling Point 300 °C
Flash Point 105 °C
Purity 90%+
Density 0.933 g/mL at 25 °C(lit.)
Exact Mass 222.198365449
Isomeric SMILES CC1=CCC(C1(C)C)/C=C/C(C)(C)C(C)O
Monoisotopic Mass 222.198365449
Physical State Liquid
Topological Polar Surface Area 20.2 Ų

For Research Use Only. Not for use in diagnostic or therapeutic procedures.