Musk ketone

Musk ketone
  • CAS No.:81-14-1
Other grades of this product :
Musk ketone Basic information
Product Name:Musk ketone
Synonyms:2-Acetyl-5-tert-butyl-4,6-dinitro-1,3-dimethylbenzene;3',5'-Dinitro-4'-tert-butyl-2',6'-dimethylacetophenone;3, 5-Dinitro-4-t-butyl-2, 6-dimethylacetophenone;Ketone Moschus,4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone, Musk ketone;Musk ketone,4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone, Ketone Moschus;Musk ketone 0;Ketone Moschus >=97.0% (N);1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)-ethanon
CAS:81-14-1
MF:C14H18N2O5
MW:294.3
EINECS:201-328-9
Product Categories:PP;KetonesAlphabetic;Analytical Standards;AromaticsAnalytical Standards;Chemical Class;Life Sciences Standards;Aromatic Acetophenones & Derivatives (substituted);M;METI - MZChromatography;Natural Compounds;Natural CompoundsAnalytical Standards;Nitro CompoundsChemical Class;OtherMore...Close...;Cosmetics;Food & Feed ADDITIVES;Organics
Mol File:81-14-1.mol
Musk ketone Chemical Properties
Melting point 134-137 °C
Boiling point 436.08°C (rough estimate)
density 1.2051 (rough estimate)
vapor pressure 0.001Pa at 25℃
refractive index 1.5110 (estimate)
Fp 2 °C
storage temp. 2-8°C
Water Solubility Insoluble (<0.1 g/100 mL at 20 ºC)
BRN 2062638
Stability:Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.
InChIKeyWXCMHFPAUCOJIG-UHFFFAOYSA-N
LogP4.24 at 25℃
CAS DataBase Reference81-14-1(CAS DataBase Reference)
NIST Chemistry Reference2,6-Dimethyl-3,5-dinitro-4-t-butylacetophenone(81-14-1)
EPA Substance Registry SystemMusk ketone (81-14-1)
Safety Information
Hazard Codes F,Xn,N
Risk Statements 11-20/21/22-36-50/53-40
Safety Statements 16-36/37-61-60-46
RIDADR UN1648 3/PG 2
WGK Germany 2
RTECS KM5775841
HS Code 2914790060
Hazardous Substances Data81-14-1(Hazardous Substances Data)
toxicityBoth the acute oral LD50 in rats and the acute dermal LD50 in rabbits exceeded 10 g/kg (Fogleman, 1970).
MSDS Information
ProviderLanguage
Musk ketone English
SigmaAldrich English
Musk ketone Usage And Synthesis
Chemical PropertiesWhite to light yellow crystal powde
Chemical PropertiesIt forms yellowish crystals with a sweet, very persistent, slightly animal musk odor.Musk ketone is prepared by Friedel–Crafts acetylation of 1,3-dimethyl-5-tert-butylbenzene and nitration of the resulting 2,6- dimethyl-4-tert-butylacetophenone with nitric acid.Musk ketone is widely used as a fixative in blossom and fantasy compositions.
OccurrenceHas apparently not been reported to occur in nature.
UsesMusk ketone is used as fragrance and fixative in after-shave lotions, perfumes, ete.
PreparationNitration of the corresponding benzene derivative (Bedoukian, 1967).
General DescriptionLight yellow crystalline solid. Insoluble in water.
Air & Water ReactionsInsoluble in water.
Reactivity ProfileA nitrated ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
Fire HazardFlash point data is not available for Musk ketone, however, Musk ketone is probably combustible.
Flammability and ExplosibilityNotclassified
Purification MethodsPurify the ketone by recrystallisation from MeOH. It has a strong odour of musk and is used in perfumery. [Fuson et al. J Org Chem 12 587 1947, Beilstein 7 IV 808.]
Musk ketone Preparation Products And Raw materials
Raw materialsZinc chloride-->Ferric chloride-->2-Methyl-1-propanol-->m-Xylene-->1-tert-Butyl-3,5-dimethylbenzene-->4'-tert-Butylacetophenone

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