Name | 4-Butyl-1-Phenyl-2,6,7-Trioxabicyclo[2.2.2]Octane |
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Synonyms | 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-Butyl-1-Phenyl-; Orthobenzoic Acid, Cyclic Ester With 2-Butyl-2-(Hydroxymethyl)-1,3-Propanediol |
Molecular Structure | ![]() |
Molecular Formula | C15H20O3 |
Molecular Weight | 248.32 |
CAS Registry Number | 70637-01-3 |
SMILES | C1=CC=CC=C1C23OCC(CO2)(CO3)CCCC |
InChI | 1S/C15H20O3/c1-2-3-9-14-10-16-15(17-11-14,18-12-14)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3 |
InChIKey | HKBXBUSPPGNWTA-UHFFFAOYSA-N |
Density | 1.127g/cm3 (Cal.) |
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Boiling point | 326.247°C at 760 mmHg (Cal.) |
Flash point | 109.294°C (Cal.) |
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