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Revision as of 15:53, 23 February 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: ChEMBL.← Previous edit Latest revision as of 20:44, 14 December 2021 edit undoGraeme Bartlett (talk | contribs)Administrators249,752 editsm superscripting 
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{{chembox {{chembox
| verifiedrevid = 396493041 | verifiedrevid = 415525032
| Name = Hexan-2-one | Name = 2-Hexanone
| ImageFile = 2-Hexanone.png | ImageFile = 2-Hexanone.png
| ImageSize = 150px | ImageSize = 150px
Line 8: Line 8:
| ImageSize1 = 180px | ImageSize1 = 180px
| ImageName1 = Ball-and-stick model of hexan-2-one | ImageName1 = Ball-and-stick model of hexan-2-one
| IUPACName = Hexan-2-one | PIN = Hexan-2-one
| OtherNames = Methyl butyl ketone; methyl n-butyl ketone; MNBK; Butyl methyl ketone; 2-Hexanone; MBK; n-butyl methyl ketone; Propylacetone | OtherNames = Methyl butyl ketone; Methyl ''n''-butyl ketone; MNBK; Butyl methyl ketone; MBK; ''n''-Butyl methyl ketone; Propylacetone
| Reference=<ref>'']'', 11th Edition, '''5955'''.</ref><ref>CRC Handbook of Chemistry and Physics, 75th ed. (1995)</ref><ref>NIOSH Pocket Guide to Chemical Hazards (August 2006)</ref><ref> at chemicalland21.com</ref> | Reference=<ref>'']'', 11th Edition, '''5955'''.</ref><ref>CRC Handbook of Chemistry and Physics, 75th ed. (1995)</ref>
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
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| InChI = 1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3 | InChI = 1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
| InChIKey = QQZOPKMRPOGIEB-UHFFFAOYAQ | InChIKey = QQZOPKMRPOGIEB-UHFFFAOYAQ
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 195861 | ChEMBL = 195861
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
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| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 591-78-6 | CASNo = 591-78-6
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 6QDY60NH6N
| EINECS = 209-731-1 | EINECS = 209-731-1
| PubChem = 154889 | PubChem = 11583
| SMILES = O=C(C)CCCC | SMILES = O=C(C)CCCC
| RTECS = MP1400000 | RTECS = MP1400000
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| C=6|H=12|O=1 | C=6|H=12|O=1
| Appearance = Colorless to light yellow liquid | Appearance = Colorless to light yellow liquid
| Odor = sharp, ]-like<ref name=PGCH/>
| Density = 0.8113 g/cm³ | Density = 0.8113 g/cm<sup>3</sup>
| Solubility = 1.4% (14 g/L) | Solubility = 1.4% (14 g/L)
| Solvent = water, acetone, ethanol, ethyl ether | Solvent = water, acetone, ethanol, ethyl ether
| VaporPressure = 12 mm of Hg (@ 20°C) | RefractIndex = 1.403 (20&nbsp;°C)
| Viscosity = 0.63 mPa·s (20&nbsp;°C)
| VaporPressure = 1.3 kPa (20&nbsp;°C)
| MeltingPtC = -55.5 | MeltingPtC = -55.5
| BoilingPtC = 127.6 | BoilingPtC = 127.6
| MagSus = -69.1·10<sup>−6</sup> cm<sup>3</sup>/mol
}} }}
| Section7 = {{Chembox Hazards | Section7 = {{Chembox Hazards
| GHSPictograms = {{GHS02}}{{GHS07}}{{GHS08}}
| GHSSignalWord= Danger
| HPhrases = {{H-phrases|226|336|361f|372|}}
| PPhrases = {{P-phrases|201|202|210|233|240|241|242|243|260|261|264|270|271|280|281|303+361+353|304+340|308+313|312|314|370+378|403+233|403+235|405|501|}}
| NFPA-H = 2 | NFPA-H = 2
| NFPA-F = 3 | NFPA-F = 3
| NFPA-R = 0 | NFPA-R = 0
| FlashPt = 25 °C | FlashPtC = 25
| Autoignition = 423 °C | ExploLimits = ?-8%<ref name=PGCH/>
| AutoignitionPtC = 423
| LD50 = 2590 mg/kg (oral, rat), 2430 mg/kg (oral, mouse), 4860 mg/kg (dermal, rabbit) | LD50 = 2590 mg/kg (oral, rat)<br/>2430 mg/kg (oral, mouse)<br/>4860 mg/kg (dermal, rabbit)<br/>2590 mg/kg (oral, guinea pig)<ref name=IDLH/>
| PEL = TWA 100 ppm (410 mg/m<sup>3</sup>) | PEL = TWA 100 ppm (410 mg/m<sup>3</sup>)<ref name=PGCH/>
| IDLH = 1600 ppm<ref name=PGCH>{{PGCH|0325}}</ref>
| REL = TWA 1 ppm (4 mg/m<sup>3</sup>)<ref name=PGCH/>
| LC50 = 8000 ppm (rat, 4 hr)<ref name=IDLH>{{IDLH|591786|2-Hexanone}}</ref>
| LCLo = 20,000 ppm (guinea pig, 70 min)<ref name=IDLH/>
| LDLo = 914 mg/kg (rat, oral)<ref name=IDLH/>
}} }}
}} }}


'''2-Hexanone''' ('''methyl butyl ketone''', '''MBK''') is a ] used as a general solvent and in paints. It dissolves cellulose nitrate, vinyl polymers and copolymers, and natural and synthetic resins. It is recommended as a solvent because it is photochemically inactive;<ref name="solv">{{citation | author=Dieter Stoye | contribution=Solvents | title=] | edition=7th | publisher=Wiley | year=2007 | page=56}}</ref> however it has a very low safe ]. 2-Hexanone is absorbed through the lungs, orally and dermally and its metabolite, ], is neurotoxic.<ref>{{citation | author=Jerrold B. Leikin | author2=Frank P. Paloucek | contribution=2-Hexanone | title=Poisoning and Toxicology Handbook | edition=4th | publisher=Informa | year=2008 | page=737}}</ref> Animal tests have shown that the neurotoxic effect of 2-hexanone may be potentiated by simultaneous administration of ] (], MEK).<ref name="but">{{citation | author=Wilhelm Neier | author2=Günter Strehlke | contribution=2-Butanone | title=Ullmann's Encyclopedia of Industrial Chemistry | edition=7th | publisher=Wiley | year=2007 | page=6}}</ref>


== References ==
'''Hexan-2-one''' is the ] with the ] C<sub>4</sub>H<sub>9</sub>COCH<sub>3</sub>. This colorless to pale yellow liquid has a sharp odor. It is a ] and often known either as MBK (methyl butyl ketone) or 2-hexanone. It has moderate water solubility, and can evaporate easily into the air as a vapor. Hexan-2-one was used in the past in paint and paint thinner, to make other chemical substances, and to dissolve oils and waxes.

== Sources ==
{{reflist}} {{reflist}}


{{DEFAULTSORT:Hexanone, 2-}}
==External links==
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