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| CAS No.: | 565-00-4 |
|---|---|
| Name: | Comphene |
| Article Data: | 173 |
| Molecular Structure: | |
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| Formula: | C10H16 |
| Molecular Weight: | 136.237 |
| Synonyms: | 2-tert-butyl-acrylaldehyde;2-tert-Butyl-acrylaldehyd;dl-camphene;3,3-dimethyl-2-methylenenorbornane;rac-camphene;3,3-dimethyl-2-methylenenorcamphane;3,3-dimethyl-2-methylenebutanal;2,2-dimethyl-3-methylene-norbornane;2-tert-butyl-propenal;2,2-dimethyl-3-methylidenebicyclo<2.2.1>heptane;2-tert-butylacrolein;2-Methylene-3,3-dimethylbicyclo<2.2.1>heptane;3,3-DIMETHYL-2-METHYLENE-BUTYRALDEHYDE; |
| EINECS: | 201-234-8 |
| Density: | 0.85 g/mL at 25oC(lit.) |
| Melting Point: | 48-52oC(lit.) |
| Boiling Point: | 159-160oC(lit.) |
| Flash Point: | 94 °F |
| Solubility: | practically insoluble |
| Appearance: | Almost colorless, waxy crystalline mass. |
| Hazard Symbols: | R10:; |
| Risk Codes: | 11 |
| Safety: | 16-33 |
| PSA: | 0.00000 |
| LogP: | 2.99870 |
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<html dir="ltr"> <head> <title></title> </head> <body> <p>The Comphene, with the cas registry number of 565-00-4, is also known as 2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane and 2,2-Dimethyl-3-methylenenorbornane. Its EINECS number is 201-234-8. This chemical's molecular formula is C<sub>10</sub>H<sub>16</sub> and formula weight is 136.23. What's more, its systematic name is called (1S,4R)-2,2-Dimethyl-3-methylidenebicyclo[2.2.1]heptane.This chemical's classification code is&nbsp;mutation data.</p> <p>Physical properties about this chemical are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0&nbsp;&Aring;<sup>2</sup>; (7)Index of Refraction: 1.483; (8)Molar Refractivity: 43.76 cm<sup>3</sup>; (9)Molar Volume: 153 cm<sup>3</sup>; (10)Surface Tension: 27 dyne/cm; (11)Density: 0.88 g/cm<sup>3</sup>; (12)Flash Point: 34.9 &deg;C; (13)Melting Point: 48-52 &deg;C(lit.); (14)Enthalpy of Vaporization: 37.9 kJ/mol; (15)Boiling Point: 158.6 &deg;C at 760 mmHg; (16)Vapour Pressure: 3.38 mmHg at 25&deg;C.</p> <p>When you are using this chemical, please be cautious about it as the following:<br /> This chemical may catch fire in contact with air, only needs brief contact with an ignition source. It has a very low flash point or evolve highly flammable gases in contact with water. It should be kept away from sources of ignition-No smoking. Whenever you will contact it, you should take precautionary measures against static discharges.</p> <p>You can still convert the following datas into molecular structure:<br /> (1)SMILES: C1(=C)\C(C)(C)[C@@H]2C[C@H]1CC2;<br /> (2)InChI: InChI=1/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1;<br /> (3)InChIKey: CRPUJAZIXJMDBK-BDAKNGLRBR;<br /> (4)Std. InChI: InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1;<br /> (5)Std. InChIKey: CRPUJAZIXJMDBK-BDAKNGLRSA-N.</p> <p>The toxicity data is as follows:</p> <p> <table bordercolor="#c6d6e7" cellspacing="0" cellpadding="4" width="100%" summary="table contains content" border="2"> <thead> <tr id="_TABLE_HEAD"> <th class="TableColumnHeading">Organism</th> <th class="TableColumnHeading">Test Type</th> <th class="TableColumnHeading">Route</th> <th class="TableColumnHeading">Reported Dose (Normalized Dose)</th> <th class="TableColumnHeading">Effect</th> <th class="TableColumnHeading">Source</th> </tr> </thead> <tbody> <tr class="TableRow" id="_TR_0"> <td class="TableCell">mouse</td> <td class="TableCell">LD</td> <td class="TableCell">intraperitoneal</td> <td class="TableCell">&gt; 500mg/kg (500mg/kg)</td> <td class="TableCell">&nbsp;</td> <td class="TableCell">&quot;Summary Tables of Biological Tests,&quot; National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 376, 1952.</td> </tr> <tr class="TableRow" id="_TR_0"> <td class="TableCell">rabbit</td> <td class="TableCell">LD50</td> <td class="TableCell">skin</td> <td class="TableCell">&gt; 2500mg/kg (2500mg/kg)</td> <td class="TableCell">&nbsp;</td> <td class="TableCell">Food and Cosmetics Toxicology. Vol. 13, Pg. 735, 1975.</td> </tr> <tr class="TableRow" id="_TR_0"> <td class="TableCell">rat</td> <td class="TableCell">LD50</td> <td class="TableCell">oral</td> <td class="TableCell">&gt; 5gm/kg (5000mg/kg)</td> <td class="TableCell">&nbsp;</td> <td class="TableCell">Food and Cosmetics Toxicology. Vol. 13, Pg. 735, 1975.</td> </tr> </tbody> </table> </p> </body> </html>