Pivaloylacetonitrile is used in the synthesis of Doramapimod. It will enhance any encyclopedic page you visit with the magic of the WIKI 2 technology. More... Molecular Weight: 118.17 g/mol. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. For English translation, see HYSAAV. 148 Synonym: α,α,α-Trimethylacetone, tert-Butyl methyl ketone, Pinacolone CAS Number 75-97-8. 3-Methylbutanal is a starting material for 2,3-dimethyl-2-butene, which in turn is converted to pinacolone. The molecule is an unsymmetrical ketone. The α-methyl group can participate in condensation reactions. Please hyperlink "Mol-Instincts" to www.molinstincts.com. © 2020 ChemEssen, Inc. All rights reserved. Skin Contact Wash off immediately with plenty of water for at least 15 minutes. That's it. Formule brute. The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Pinacolone oxime is: It may allow easier web searches for Pinacolone oxime. The molecular weight of Pinacolone is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be: The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. The α-methyl group can participate in condensation reactions. Molar Refractivity: 109.1±0.3 cm 3: #H bond acceptors: 1 #H bond donors: 0 #Freely Rotating Bonds: 5 #Rule of 5 Violations: 1 ACD ... Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0747 17.5 1000 Water 2.12 900 1000 Soil 38.1 1.8e+003 1000 Sediment 59.7 8.1e+003 0 Persistence Time: 3.52e+003 hr Click to predict properties on the Chemicalize site. Elle est principalement utilisée pour la synthèse de la triazolylpinacolone, celle du triadimefon, un fongicide et celle de la metribuzine, un herbicide. The Pinacolone oxime molecule consists of 13 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s) and 1 Oxygen atom(s) - a total of 21 atom(s). Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of Pinacolone, 19 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s) and 1 Oxygen atom(s), 18 bond(s) - 6 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s) and 1 ketone(s) (aliphatic), 3,3-Dimethylbutan-2-one, Methyl t-butyl ketone, Pinacolin, Pinacolone, tert-Butyl methyl ketone. The contents of this page can freely be shared if cited as follows: Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass … Gigiena i Sanitariya. 91, 1987. https://fr.wikipedia.org/w/index.php?title=Pinacolone&oldid=176178015, Pages avec des arguments non numériques dans formatnum, Infobox Chimie avec données 67/548/EEC redondantes à supprimer, licence Creative Commons attribution, partage dans les mêmes conditions, comment citer les auteurs et mentionner la licence. For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The structure data file (SDF/MOL File) of Pinacolone is available for download in the SDF page of Pinacolone, which provides the information on atoms, bonds, connectivity and coordinates of Pinacolone. C 71,95 %, H 12,08 %, O 15,97 %, Propriétés physiques. Pinacolone (3,3-dimethyl-2-butanone) is an important ketone in organic chemistry. It is a colorless liquid and has a slight peppermint- or camphor- odor. The α-methyl group can participate in condensation reactions. 3,3-Dimethyl-2-butanone MSDS (material safety data sheet) or SDS, CoA and CoQ, dossiers, brochures and other available documents. The carbonyl group can undergo the usual reactions (hydrogenation, reductive amination, etc.). Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol. −50 °C. \frac{g}{mol} $$ The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. The Pinacolone structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis. I use WIKI 2 every day and almost forgot how the original Wikipedia looks like. It also is generated by ketonization of pivalic acid and acetic acid or acetone over metal oxide catalysts. Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of Pinacolone oxime, download in the SDF page of Pinacolone oxime, chemical structure page of Pinacolone oxime, chemical formula page of Pinacolone oxime, (E)-N-(3,3-dimethylbutan-2-ylidene)hydroxylamine, 21 atom(s) - 13 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s) and 1 Oxygen atom(s), 20 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 oxime(s) (aliphatic) and 1 hydroxyl group(s), N-(3,3-dimethylbutan-2-ylidene)hydroxylamine. Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. Get medical attention. Need to identify active compounds in your natural products? 161 Beilstein/REAXYS Number 1209331 . Need to identify active compounds in your natural products? It is a precursor to triazolylpinacolone in the synthesis of the fungicide triadimefon and in synthesis of the herbicide metribuzin. 2 drops 4 mL periodic acid 172 reagent 40-43 118 0.500 g 0.801 pinacol 106 100 pinacolone silver nitrate, 0.1M 4 drops sodium … C 6 H 12 O [Isomères] Masse molaire. The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. It is a precursor to triazolylpinacolone in the synthesis of the fungicide triadimefon and in synthesis of the herbicide metribuzin.The molecule is an unsymmetrical ketone.The α-methyl group can participate in condensation reactions. The source code for the WIKI 2 extension is being checked by specialists of the Mozilla Foundation, Google, and Apple. [2] It is also a controlled export in Australia Group member states. There may be different names of the Pinacolone oxime compound depending on the various situations of industrial applications, which are given below including the registry numbers if available: Visit ChemTopia for further professional chemical information on the basis of a comprehensive intelligence networking platform for experts in the discipline around the globe. The Pinacolone molecule consists of 12 Hydrogen atom(s), 6 Carbon atom(s) and 1 Oxygen atom(s) - a total of 19 atom(s). C'est aussi un intermédiaire dans la synthèse de l'acide pivalique. The contents of this page can freely be shared if cited as follows: It is a colorless liquid and has a slight peppermint- or camphor- odor. Please hyperlink "Mol-Instincts" to www.molinstincts.com. Congratulations on this excellent venture⦠what a great idea! The ultimate source of accurate masses and isotope values are … The Pinacolone oxime structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis. Composition of Cyclohexanol - C 6 H 12 O . Get medical attention. Un article de Wikipédia, l'encyclopédie libre. The molecular weight of Pinacolone oxime is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be: The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. La pinacolone est hautement inflammable (point d'éclair à 3 °C, auto-inflammation à 520 °C[1]) et figure sur substance contrôlées à l'export car pouvant être utilisé pour produire des armes chimiques. The molecule is an unsymmetrical ketone. MDL number MFCD00008846. Propriétés chimiques. Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Source: Mol-Instincts Chemical Database, Predicted on Quantum. The atomic mass takes into account the isotopic distribution of the element in a given sample. Molar mass: 118.174 g/mol Appearance White solid Density: 0.967 g/cm 3: Melting point: 40 to 43 °C (104 to 109 °F; 313 to 316 K) Boiling point: ... As a vicinal-diol, it can rearrange to pinacolone by the pinacol rearrangement, e.g. First-aid measures Eye Contact Rinse immediately with plenty of water, also under the eyelids, for at least 15 minutes. For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The structure data file (SDF/MOL File) of Pinacolone oxime is available for download in the SDF page of Pinacolone oxime, which provides the information on atoms, bonds, connectivity and coordinates of Pinacolone oxime. Exact Mass: 100.088815 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) Monoisotopic Mass: 100.088815 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) Topological Polar Surface Area: 17.1 Ų: Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) Heavy Atom Count: 7: Computed by PubChem: Formal Charge: 0: Computed by PubChem: Complexity: … Pinacolone is produced in large amounts for use in fungicides, herbicides, and pesticides. The full standard InChI of Pinacolone oxime is given below: InChI=1S/C6H13NO/c1-5(7-8)6(2,3)4/h8H,1-4H3/b7-5+. The full standard InChI of Pinacolone is given below: It can provide a way to encode the molecular information of Pinacolone to facilitate the search for the compound information in databases and on the web. Entrée « 3,3-Dimethyl-2-butanone » dans la base de données de produits chimiques. It will enhance any encyclopedic page you visit with the magic of the WIKI 2 technology. The molecular formula of Pinacolone oxime is given in chemical formula page of Pinacolone oxime, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element. La pinacolone (3,3-diméthylbutan-2-one) est une cétone importante en chimie organique. Pinacolone can also be produced from 2-methy-2-butanol when reacted with C5 alcohols.[5]. It can provide a way to encode the molecular information of Pinacolone oxime to facilitate the search for the compound information in databases and on the web. 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