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Comphene

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Name

Comphene

EINECS 201-234-8
CAS No. 565-00-4 Density 0.85 g/mL at 25oC(lit.)
PSA 0.00000 LogP 2.99870
Solubility practically insoluble Melting Point 48-52oC(lit.)
Formula C10H16 Boiling Point 159-160oC(lit.)
Molecular Weight 136.237 Flash Point 94 °F
Transport Information N/A Appearance Almost colorless, waxy crystalline mass.
Safety 16-33 Risk Codes 11
Molecular Structure Molecular Structure of 565-00-4 (Comphene) Hazard Symbols R10:;
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;

Article Data 173

Comphene Specification

&lt;html dir=&quot;ltr&quot;&gt; &lt;head&gt; &lt;title&gt;&lt;/title&gt; &lt;/head&gt; &lt;body&gt; &lt;p&gt;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&lt;sub&gt;10&lt;/sub&gt;H&lt;sub&gt;16&lt;/sub&gt; 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&amp;nbsp;mutation data.&lt;/p&gt; &lt;p&gt;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&amp;nbsp;&amp;Aring;&lt;sup&gt;2&lt;/sup&gt;; (7)Index of Refraction: 1.483; (8)Molar Refractivity: 43.76 cm&lt;sup&gt;3&lt;/sup&gt;; (9)Molar Volume: 153 cm&lt;sup&gt;3&lt;/sup&gt;; (10)Surface Tension: 27 dyne/cm; (11)Density: 0.88 g/cm&lt;sup&gt;3&lt;/sup&gt;; (12)Flash Point: 34.9 &amp;deg;C; (13)Melting Point: 48-52 &amp;deg;C(lit.); (14)Enthalpy of Vaporization: 37.9 kJ/mol; (15)Boiling Point: 158.6 &amp;deg;C at 760 mmHg; (16)Vapour Pressure: 3.38 mmHg at 25&amp;deg;C.&lt;/p&gt; &lt;p&gt;When you are using this chemical, please be cautious about it as the following:&lt;br /&gt; 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.&lt;/p&gt; &lt;p&gt;You can still convert the following datas into molecular structure:&lt;br /&gt; (1)SMILES: C1(=C)\C(C)(C)[C@@H]2C[C@H]1CC2;&lt;br /&gt; (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;&lt;br /&gt; (3)InChIKey: CRPUJAZIXJMDBK-BDAKNGLRBR;&lt;br /&gt; (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;&lt;br /&gt; (5)Std. InChIKey: CRPUJAZIXJMDBK-BDAKNGLRSA-N.&lt;/p&gt; &lt;p&gt;The toxicity data is as follows:&lt;/p&gt; &lt;p&gt; &lt;table bordercolor=&quot;#c6d6e7&quot; cellspacing=&quot;0&quot; cellpadding=&quot;4&quot; width=&quot;100%&quot; summary=&quot;table contains content&quot; border=&quot;2&quot;&gt; &lt;thead&gt; &lt;tr id=&quot;_TABLE_HEAD&quot;&gt; &lt;th class=&quot;TableColumnHeading&quot;&gt;Organism&lt;/th&gt; &lt;th class=&quot;TableColumnHeading&quot;&gt;Test Type&lt;/th&gt; &lt;th class=&quot;TableColumnHeading&quot;&gt;Route&lt;/th&gt; &lt;th class=&quot;TableColumnHeading&quot;&gt;Reported Dose (Normalized Dose)&lt;/th&gt; &lt;th class=&quot;TableColumnHeading&quot;&gt;Effect&lt;/th&gt; &lt;th class=&quot;TableColumnHeading&quot;&gt;Source&lt;/th&gt; &lt;/tr&gt; &lt;/thead&gt; &lt;tbody&gt; &lt;tr class=&quot;TableRow&quot; id=&quot;_TR_0&quot;&gt; &lt;td class=&quot;TableCell&quot;&gt;mouse&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;LD&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;intraperitoneal&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;&amp;gt; 500mg/kg (500mg/kg)&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;&amp;nbsp;&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;&amp;quot;Summary Tables of Biological Tests,&amp;quot; National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 376, 1952.&lt;/td&gt; &lt;/tr&gt; &lt;tr class=&quot;TableRow&quot; id=&quot;_TR_0&quot;&gt; &lt;td class=&quot;TableCell&quot;&gt;rabbit&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;LD50&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;skin&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;&amp;gt; 2500mg/kg (2500mg/kg)&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;&amp;nbsp;&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;Food and Cosmetics Toxicology. Vol. 13, Pg. 735, 1975.&lt;/td&gt; &lt;/tr&gt; &lt;tr class=&quot;TableRow&quot; id=&quot;_TR_0&quot;&gt; &lt;td class=&quot;TableCell&quot;&gt;rat&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;LD50&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;oral&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;&amp;gt; 5gm/kg (5000mg/kg)&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;&amp;nbsp;&lt;/td&gt; &lt;td class=&quot;TableCell&quot;&gt;Food and Cosmetics Toxicology. Vol. 13, Pg. 735, 1975.&lt;/td&gt; &lt;/tr&gt; &lt;/tbody&gt; &lt;/table&gt; &lt;/p&gt; &lt;/body&gt; &lt;/html&gt;

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