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Basic Information
CAS No.: 1075-30-5
Name: Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone
Article Data: 6
Molecular Structure:
Molecular Structure of 1075-30-5 (Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone)
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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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 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 .