{"id":49681,"date":"2024-06-11T17:52:30","date_gmt":"2024-06-11T09:52:30","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49681"},"modified":"2024-06-11T17:52:30","modified_gmt":"2024-06-11T09:52:30","slug":"2-furanmethanethiol","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49681","title":{"rendered":"2-furanmethanethiol","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49680\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/06\/ae777965ad224c31b829e12b40544976.gif\" width=\"198\" height=\"227\" alt=\"2-furanmethylthiol 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>02D3<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C5H6OS<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>114.07<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         furfuryl mercaptan,<\/p>\n<p>                         2-Thiofuranmethanol,<\/p>\n<p>                         coffee aldehyde,<\/p>\n<p>                         Furfuryl mercaptan,<\/p>\n<p>                          2-thio furan methanol,<\/p>\n<p>                          Coffee aldehydes,<\/p>\n<p>                         artificial flavors<\/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>98-02-2<\/p>\n<p><b>MDL number:<\/b>MFCD00003254<\/p>\n<p><b>EINECS number:<\/b>202-628-2<\/p>\n<p><b>RTECS number:<\/b>LU2100000<\/p>\n<p><b>BRN number:<\/b>383594<\/p>\n<p><b>PubChem number:<\/b>24871755<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: colorless and transparent liquid with a very unpleasant odor.  <\/p>\n<p>2. Density (g\/mL, 25\u2103): 1.139<\/p>\n<p>3. Relative vapor density (g\/mL, air=1): Undetermined<\/p>\n<p>4. Melting point (\u00baC): Undetermined<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): 155<\/p>\n<p>6. Boiling point (\u00baC, kPa): Undetermined<\/p>\n<p>7. Refractive index (n20\/D): 1.5329<\/p>\n<p>8. Flash point (\u00baC): 45<\/p>\n<p>9. Specific rotation (\u00ba): Undetermined<\/p>\n<p>  p&gt;<\/p>\n<p>10. Autoignition point or ignition temperature (\u00baC): Not determined<\/p>\n<p>11. Vapor pressure (mmHg, 55\u00baC): Not determined<\/p>\n<p>12. Saturated vapor pressure  (kPa, 25 \u00baC): 0 not determined<\/p>\n<p>13. Heat of combustion (KJ\/mol): not determined<\/p>\n<p>14. Critical temperature (\u00baC): not determined<\/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: Insoluble in water, soluble in a variety of organic matter  It is stable in solvents and dilute alkali solutions, and easily polymerizes in the presence of inorganic acids.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     1. Acute toxicity: mouse peritoneal cavity LD50: 100mg\/kg; 2. Other multiple dose toxicity: rat oral TDLo: 2730 mg\/kg\/13W-C; 3. Reproductive toxicity: male rats 42 days before mating  Oral TDLo: 1260 mg\/kgSEX\/DURATION;\n     <\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p><p>Water hazard class 1 (German Regulation) (self-assessment via list) The substance is slightly hazardous to water.  <\/p>\n<p>Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.  <\/p>\n<p>Do not discharge materials into the surrounding environment without government permission.  <\/p>\n<\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p><p>1. Molar refractive index: 31.36<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 102.5<\/p>\n<p>3. &nbsp; Isotonic specific volume (90.2K): 249.9<\/p>\n<p>4. Surface tension (dyne\/cm): 35.2<\/p>\n<p>5. Dielectric constant:<\/p>\n<p>6. Even  Polar distance (10<sup>-24<\/sup>cm<sup>3<\/sup>):<\/p>\n<p>7. Polarizability: 12.43<\/p>\n<\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Hydrophobic parameter calculation reference value (XlogP): 1.3<\/p>\n<p>2. Number of hydrogen bond donors: 0<\/p>\n<p>3. Number of hydrogen bond acceptors: 1<\/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): 13.1<\/p>\n<p>7. Number of heavy atoms: 7<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 56<\/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: 0<\/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>Avoid contact with oxidants, reducing agents, alkalis, and alkali metals.  <\/p>\n<p>After dilution, it has the aroma of coffee and caramel, and when it is strong, it has an unpleasant sulfur-like smell.  It is insoluble in water, soluble in a variety of organic solvents and dilute alkali solutions, and has stable properties. It is easy to polymerize in the presence of inorganic acids.  <\/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, reducing agents, alkalis, and food chemicals, and avoid mixed storage.  It should not be stored for a long time to avoid deterioration.  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><p>Heat furfuryl alcohol, thiourea and 48% hydrobromic acid to reflux, add sodium hydroxide aqueous solution, acidify the aqueous layer after separation, extract and combine the ether layers with ether, dry and distill to obtain the desired product.  <\/p>\n<\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>Raw materials for preparing coffee and baking aroma.  The dosage for candies and baked goods is 2\u00d710-6.  Dosage of soft drinks, iced foods, and frostings (5\u00d710-7) ~ (7.8\u00d710-7).  The dosage of jelly and pudding is 10-7.  Product quality: content \u226599%.  <\/p>\n<p>It is used to prepare coffee, chocolate and other flavors and is an important edible spice.  In the spice industry, this product can also be used to synthesize other spices containing furfuryl sulfur groups.  <\/p>\n<\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2016\/05\/Lupragen-N205-MSDS.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2016\/05\/Lupragen-N205-MSDS.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/947\">https:\/\/www.newtopchem.com\/archives\/947<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/low-odor-catalyst-9727-reaction-type-catalyst-9727\/\">https:\/\/www.cyclohexylamine.net\/low-odor-catalyst-9727-reaction-type-catalyst-9727\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-t-96-catalyst-cas103-83-3-evonik-germany\/\">https:\/\/www.bdmaee.net\/dabco-t-96-catalyst-cas103-83-3-evonik-germany\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/174\">https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/174<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/dibutyltin-monooctyl-maleate-cas-25168-21-2\/\">https:\/\/www.cyclohexylamine.net\/dibutyltin-monooctyl-maleate-cas-25168-21-2\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/915\">https:\/\/www.newtopchem.com\/archives\/915<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/75\">https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/75<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/zinc-isooctanoate-cas-136-53-8-zinc-2-ethyloctanoate\/\">https:\/\/www.bdmaee.net\/zinc-isooctanoate-cas-136-53-8-zinc-2-ethyloctanoate\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/2\">https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/2<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 02D3 Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49680,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15520],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49681"}],"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=49681"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49681\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49680"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49681"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49681"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49681"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}