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| Name |
4-(Diphenylmethylene)-2-ethyl-3-methylcyclohexanol acetate |
EINECS | N/A |
| CAS No. | 52236-34-7 | Density | 1.07g/cm3 |
| PSA | 26.30000 | LogP | 5.87630 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C24H28O2 | Boiling Point | 459.1°C at 760 mmHg |
| Molecular Weight | 348.485 | Flash Point | 227.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
4-(Diphenylmethylene)-2-ethyl-3-methylcyclohexanol acetate Chemical Properties
Molecule structure of 4-(Diphenylmethylene)-2-ethyl-3-methylcyclohexanol acetate (CAS NO.52236-34-7) :
IUPAC Name: (4-benzhydrylidene-2-ethyl-3-methylcyclohexyl) acetate
Molecular Weight: 348.47792 g/mol
Molecular Formula: C24H28O2
Density: 1.07 g/cm3
Boiling Point: 459.1 °C at 760 mmHg
Flash Point: 227.4 °C
Molar Volume: 325.1 cm3
Polarizability: 42.11*10-24 cm3
Surface Tension: 42.1 dyne/cm
Enthalpy of Vaporization: 71.96 kJ/mol
Vapour Pressure: 1.3E-08 mmHg at 25 °C
XLogP3-AA: 6.2
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Exact Mass: 348.20893
MonoIsotopic Mass: 348.20893
Topological Polar Surface Area: 26.3
Heavy Atom Count: 26
Complexity: 474
Undefined Atom StereoCenter Count: 3
Covalently-Bonded Unit Count: 1
Canonical SMILES: CCC1C(C(=C(C2=CC=CC=C2)C3=CC=CC=C3)CCC1OC(=O)C)C
InChI: InChI=1S/C24H28O2/c1-4-21-17(2)22(15-16-23(21)26-18(3)25)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17,21,23H,4,15-16H2,1-3H3
InChIKey of 4-(Diphenylmethylene)-2-ethyl-3-methylcyclohexanol acetate (CAS NO.52236-34-7) : KXNUOGOBWQDOBF-UHFFFAOYSA-N
4-(Diphenylmethylene)-2-ethyl-3-methylcyclohexanol acetate Toxicity Data With Reference
| 1. | orl-rat TDLo:750 µg/kg (female 1-3D post):REP | CCPTAY Contraception. 9 (1974),393. |
4-(Diphenylmethylene)-2-ethyl-3-methylcyclohexanol acetate Safety Profile
Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
4-(Diphenylmethylene)-2-ethyl-3-methylcyclohexanol acetate Specification
4-(Diphenylmethylene)-2-ethyl-3-methylcyclohexanol acetate (CAS NO.52236-34-7) is also called 1-Diphenylmethylenyl-2-methyl-3-ethyl-4-acetoxycyclohexane ; ORF 8511 ; Cyclohexanol, 4-(diphenylmethylene)-2-ethyl-3-methyl-, acetate .
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