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55764-18-6

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Basic Information
CAS No.: 55764-18-6
Name: octahydro-1,5-methano-3H-cyclopent[c]oxepin-3-one
Article Data: 1
Molecular Structure:
Molecular Structure of 55764-18-6 (octahydro-1,5-methano-3H-cyclopent[c]oxepin-3-one)
Formula: C10H14 O2
Molecular Weight: 166.22
Synonyms: octahydro-1,5-methano-3H-cyclopent[c]oxepin-3-one
Density: 1.148g/cm3
Boiling Point: 297.6°Cat760mmHg
Flash Point: 121°C
Safety: Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 26.30000
LogP: 1.73810
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  • 1,5-METHANO-3H-CYCLPENTA[C]OXEPIN-3-ONE,OCTAHYDRO-

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    1,5-METHANO-3H-CYCLPENTA[C]OXEPIN-3-ONE,OCTAHYDRO-Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry


Molecular Weight: 166.21696 g/mol
Molecular Formula of 9-Oxo-8-oxatricyclo undecane (CAS NO.55764-18-6): C10H14O2
Density: 1.148 g/cm3
Boiling Point: 297.6 °C at 760 mmHg
Flash Point: 121 °C
Molar Volume: 144.7 cm3
Polarizability: 17.42*10-24 cm3
Surface Tension: 38 dyne/cm 
Enthalpy of Vaporization: 53.75 kJ/mol
Vapour Pressure: 0.00134 mmHg at 25 °C
XLogP3-AA: 2
H-Bond Acceptor: 2
Exact Mass: 166.09938
MonoIsotopic Mass: 166.09938
Topological Polar Surface Area: 26.3
Heavy Atom Count: 12
Complexity: 224
Canonical SMILES: C1CC2C(C1)C3CC2CC(=O)O3
InChI: InChI=1S/C10H14O2/c11-10-5-6-4-9(12-10)8-3-1-2-7(6)8/h6-9H,1-5H2
InChIKey: MHCQWHPTAZHNSX-UHFFFAOYSA-N
EINECS of 9-Oxo-8-oxatricyclo undecane (CAS NO.55764-18-6): 259-798-6

Toxicity Data With Reference

1.    

orl-rat LD50:840 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 28 (1974),313.
2.    

skn-rbt LD50:1270 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 28 (1974),313.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 9-Oxo-8-oxatricyclo undecane (CAS NO.55764-18-6) is also called Octahydro-1,5-methano-3H-cyclopent[c]oxepin-3-one .