{"id":48624,"date":"2024-05-11T18:10:02","date_gmt":"2024-05-11T10:10:02","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48624"},"modified":"2024-05-11T18:10:02","modified_gmt":"2024-05-11T10:10:02","slug":"1-methyl-4-2-methyloxiranyl-7-oxabicyclo4-1-0heptane","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48624","title":{"rendered":"1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48623\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/3c9ff27de699444f904f4d7011a9e99b.gif\" width=\"228\" height=\"227\" alt=\"1-methyl-4-(2-methyloxiranyl)-7-oxo  Heterobicyclo[4.1.0]heptane structural formula\" \/><\/p>\n<p>Structural formula<\/p>\n<table class=\"summary-table table table-striped table-bordered\">\n<col width=\"90\" \/>\n<tbody>\n<tr>\n<th scope=\"row\">Business number<\/th>\n<td>02AC<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C10H16O2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>168.24<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         terpene dioxide,<\/p>\n<p>                         dipentene dioxide,<\/p>\n<p>                         1,2:8,9-Diepoxylimonene,<\/p>\n<p>                         1,2:8,9-Diepoxylimonene<\/p>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<ul class=\"nav nav-tabs\">\n<li class=\"active\"><a href=\"#bh\">Numbering system<\/a><\/li>\n<li><a href=\"#wx\">Physical property data<\/a><\/li>\n<li><a href=\"#dl\">Toxicological data<\/a><\/li>\n<li><a href=\"#st\">Ecological data<\/a><\/li>\n<li><a href=\"#fz\">Molecular structure data<\/a><\/li>\n<li><a href=\"#js\">Computing chemical data<\/a><\/li>\n<li class=\"dropdown pull-right\">\n                     <a href=\"\" class=\"dropdown-toggle\">More <span class=\"caret\"><\/span><\/a><\/p>\n<ul class=\"dropdown-menu\" role=\"menu\">\n<li><a href=\"#xz\">Properties and Stability<\/a><\/li>\n<li><a href=\"#zc\">Storage method<\/a><\/li>\n<li><a href=\"#hc\">Synthesis method<\/a><\/li>\n<li><a href=\"#yt\">Purpose<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<h2 id=\"bh\">Numbering system<\/h2>\n<p><b>CAS number:<\/b>96-08-2<\/p>\n<p><b>MDL number:<\/b>None<\/p>\n<p><b>EINECS number:<\/b>202-475-1<\/p>\n<p><b>RTECS number:<\/b>None<\/p>\n<p><b>BRN number:<\/b>107989<\/p>\n<p><b>PubChem ID:<\/b>None<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: colorless liquid with a slight menthol-like odor.  <\/p>\n<p>2. Density (g\/mL, 20\u2103): 1.03<\/p>\n<p>3. Relative vapor density (g\/mL, air=1): 7.40<\/p>\n<p>  4. Melting point (\u00baC): &lt;60<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): 242<\/p>\n<p>6. Boiling point (\u00baC, 43mmHg): Undetermined<\/p>\n<p>7. Refractive index: Undetermined<\/p>\n<p>8. Flash point (\u00baC): 100.4<\/p>\n<p>9. Specific rotation (\u00ba): Undetermined<\/p>\n<p>  10. Autoignition point or ignition temperature (\u00baC): Undetermined<\/p>\n<p>11. Vapor pressure (mmHg, \u00baC): Undetermined<\/p>\n<p>12. Saturated vapor pressure (kPa, 20\u00baC)  : 0.0027<\/p>\n<p>13. Heat of combustion (KJ\/mol): Undetermined<\/p>\n<p>14. Critical temperature (\u00baC): Undetermined<\/p>\n<p>15. Critical pressure (  KPa): Undetermined<\/p>\n<p>16. Log value of oil-water (octanol\/water) partition coefficient: Undetermined<\/p>\n<p>17. Explosion upper limit (%, V\/V): Undetermined  <\/p>\n<p>18. Lower explosion limit (%, V\/V): Undetermined<\/p>\n<p>19. Solubility: Slightly soluble in water, soluble in methanol, benzene, carbon tetrachloride, etc.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p><p>1. Skin\/eye irritation<\/p>\n<p>Standard Draize test: rabbit, skin contact: 10mg\/24H, severity of reaction: moderate.  <\/p>\n<p>2. Acute toxicity: Rat oral LD50: 5630mg\/kg; Rat inhalation LC50: 60mg\/m<sup>3<\/sup>\/1H; Rat intraperitoneal LD50: 400mg\/  kg; mouse LD50 by intramuscular injection: 600mg\/kg; rabbit skin contact LD50: 1770\u03bcL\/kg; <\/p>\n<p>3. Chronic toxicity\/carcinogenicity<\/p>\n<p>Mouse TDLo: 6700mg  \/kg;<\/p>\n<\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p><p>This substance is harmful to the environment, and special attention should be paid to atmospheric pollution.  <\/p>\n<p dir=\"rtl\">\n<\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p><p>1. Molar refractive index: 45.42<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 147.3<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 390.5<\/p>\n<p>4. Surface tension (dyne\/cm): 49.3<\/p>\n<p>5. Polarizability (10-24cm3): 18.00<\/p>\n<\/p>\n<h2 id=\"js\">Computational ChemistryData<\/h2>\n<p><p>1. Hydrophobic parameter calculation reference value (XlogP): 1.1<\/p>\n<p>2. Number of hydrogen bond donors: 0<\/p>\n<p>3. Number of hydrogen bond acceptors: 2<\/p>\n<p>4. Number of rotatable chemical bonds: 1<\/p>\n<p>5. Number of tautomers:<\/p>\n<p>6. Topological molecular polar surface area (TPSA): 25.1<\/p>\n<p>7. Number of heavy atoms: 12<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 228<\/p>\n<p>10. Number of isotope atoms:  0<\/p>\n<p>11. Determine the number of atomic stereocenters: 0<\/p>\n<p>12. Uncertain number of atomic stereocenters: 4<\/p>\n<p>13. Determine the number of chemical bond stereocenters  Number: 0<\/p>\n<p>14. Number of uncertain chemical bond stereocenters: 0<\/p>\n<p>15. Number of covalent bond units: 1<\/p>\n<\/p>\n<h2 id=\"xz\">Properties and stability<\/h2>\n<p><p>1. Avoid contact with strong oxidants and acids.  <\/p>\n<p>2. Found in tobacco leaves.  <\/p>\n<p>3. It has carcinogenic activity.  <\/p>\n<\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p>\n     Store in a cool, ventilated warehouse.  Keep away from fire and heat sources.  They should be stored separately from oxidants and acids, and avoid mixed storage.  Use explosion-proof lighting and ventilation facilities.  It is prohibited to use mechanical equipment and tools that are prone to sparks.  The storage area should be equipped with emergency release equipment and suitable containment materials.\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>Used as epoxy resin diluent, intermediate for preparing alkyd resin, plasticizer, lubricant additive and chemical intermediate.  <\/p>\n<\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44838\">https:\/\/www.newtopchem.com\/archives\/44838<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/cas-10584-98-2\/\">https:\/\/www.bdmaee.net\/cas-10584-98-2\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-dc5le-reaction-type-delayed-catalyst-reaction-type-catalyst\/\">https:\/\/www.bdmaee.net\/dabco-dc5le-reaction-type-delayed-catalyst-reaction-type-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-pt305-reactive-amine-catalyst-pt305-dabco-amine-catalyst\/\">https:\/\/www.bdmaee.net\/dabco-pt305-reactive-amine-catalyst-pt305-dabco-amine-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/cas-33568-99-9\/\">https:\/\/www.bdmaee.net\/cas-33568-99-9\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/tmr-2\/\">https:\/\/www.bdmaee.net\/tmr-2\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/39829\">https:\/\/www.newtopchem.com\/archives\/39829<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-pt304-catalyst-cas1739-84-0-evonik-germany\/\">https:\/\/www.bdmaee.net\/dabco-pt304-catalyst-cas1739-84-0-evonik-germany\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44956\">https:\/\/www.newtopchem.com\/archives\/44956<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44995\">https:\/\/www.newtopchem.com\/archives\/44995<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 02AC Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48623,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15254],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48624"}],"collection":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/comments?post=48624"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48624\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48623"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48624"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48624"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48624"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}