Cyclopentyl 3,4-dihydroxyphenyl ketone supplier

Name
CYCLOPENTYL-3,4-DIHYDROXYPHENYLKETONE
EINECS
CAS No. 67239-27-4
Density 1.268g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄O₃
Boiling Point 427.2°Cat760mmHg
Molecular Weight 206.241
Flash Point 226.3°C
Transport Information
Appearance
Safety Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms KETONE,CYCLOPENTYL 3,4-DIHYDROXYPHENYL;Cyclopentyl 3,4-dihydroxyphenyl ketone;Cyclopentyl-<3.4-dihydroxy-phenyl>-keton;
PSA 57.53000
LogP 2.47070

Cyclopentyl 3,4-dihydroxyphenyl ketone Chemical Properties

Molecule structure of Cyclopentyl 3,4-dihydroxyphenyl ketone (CAS NO.67239-27-4):

IUPAC Name: Cyclopentyl-(3,4-dihydroxyphenyl)methanone
Molecular Weight: 206.23776 g/mol
Molecular Formula: C₁₂H₁₄O₃
Density: 1.268 g/cm³
Boiling Point: 427.2 °C at 760 mmHg
Flash Point: 226.3 °C
Index of Refraction: 1.611
Molar Refractivity: 56.46 cm³
Molar Volume: 162.5 cm³
Polarizability: 22.38×10^-24 cm³
Surface Tension: 58.6 dyne/cm
Enthalpy of Vaporization: 70.86 kJ/mol
Vapour Pressure: 6.68E-08 mmHg at 25 °C
XLogP3-AA: 2.4
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 166
Exact Mass: 206.094294
MonoIsotopic Mass: 206.094294
Topological Polar Surface Area: 57.5
Heavy Atom Count: 15
Complexity: 233
Canonical SMILES: C1CCC(C1)C(=O)C2=CC(=C(C=C2)O)O
InChI: InChI=1S/C12H14O3/c13-10-6-5-9(7-11(10)14)12(15)8-3-1-2-4-8/h5-8,13-14H,1-4H2
InChIKey: ICPUNZJSJWFCOT-UHFFFAOYSA-N
Classification Code of Cyclopentyl 3,4-dihydroxyphenyl ketone (CAS NO.67239-27-4): Drug / Therapeutic Agent

Cyclopentyl 3,4-dihydroxyphenyl ketone Toxicity Data With Reference

ipr-mus LD50:650 mg/kg

JMCMAR Journal of Medicinal Chemistry. 7 (1964),178.

Cyclopentyl 3,4-dihydroxyphenyl ketone Safety Profile

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

Cyclopentyl 3,4-dihydroxyphenyl ketone Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Cyclopentyl 3,4-dihydroxyphenyl ketone Specification

Cyclopentyl 3,4-dihydroxyphenyl ketone (CAS NO.67239-27-4) is also named as BRN 2580210 ; Ketone, cyclopentyl 3,4-dihydroxyphenyl .

Product Name

CYCLOPENTYL-3,4-DIHYDROXYPHENYLKETONE

Cyclopentyl 3,4-dihydroxyphenyl ketone Chemical Properties

Cyclopentyl 3,4-dihydroxyphenyl ketone Toxicity Data With Reference

Cyclopentyl 3,4-dihydroxyphenyl ketone Safety Profile

Cyclopentyl 3,4-dihydroxyphenyl ketone Standards and Recommendations

Cyclopentyl 3,4-dihydroxyphenyl ketone Specification

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