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CAS No.: | 1075-30-5 |
---|---|
Name: | Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H10 O |
Molecular Weight: | 146.189 |
Synonyms: | Ketone,bicyclo[4.2.0]octa-1,3,5-trien-7-yl methyl (7CI,8CI); Bicyclo[4.2.0]octane,ethanone deriv.; Ethanone, 1-bicyclo[4.2.0]octa-1,3,5-trien-7-yl-, ethanonederiv. |
Density: | 1.107g/cm3 |
Boiling Point: | 249.8°C at 760 mmHg |
Flash Point: | 101.1°C |
Safety: | Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors. |
PSA: | 17.07000 |
LogP: | 1.91530 |
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Product Name: Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone (CAS NO.1075-30-5)
Molecular Formula: C10H10O
Molecular Weight: 146.20g/mol
Mol File: 1075-30-5.mol
Boiling point: 249.8 °C at 760 mmHg
Flash Point: 101.1 °C
Density: 1.107 g/cm3
Surface Tension: 41.7 dyne/cm
Enthalpy of Vaporization: 48.7 kJ/mol
Vapour Pressure: 0.0225 mmHg at 25°C
XLogP3-AA: 1.2
H-Bond Donor: 0
H-Bond Acceptor: 1
IUPAC Name: 1-(8-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone
Canonical SMILES: CC(=O)C1CC2=CC=CC=C12
InChI: InChI=1S/C10H10O/c1-7(11)10-6-8-4-2-3-5-9(8)10/h2-5,10H,6H2,1H3
InChIKey: HRBWEKNHUNICAM-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 550mg/kg (550mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS | Journal of Medicinal Chemistry. Vol. 9, Pg. 656, 1966. |
Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
DOT Classification: 3; Label: Flammable Liquid
Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone ,its CAS NO. is 1075-30-5,the synonyms is BRN 2044508 ; Bicyclo(4.2.0)octa-1,3,5-triene, 7-acetyl- ; Ketone, bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl .