| 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 |
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| Musk ketone Chemical Properties |
| Melting point |
134-137 °C |
| Boiling point |
436.08°C (rough estimate) |
| density |
1.2051 (rough estimate) |
| 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. |
| InChIKey |
WXCMHFPAUCOJIG-UHFFFAOYSA-N |
| CAS DataBase Reference |
81-14-1(CAS DataBase Reference) |
| NIST Chemistry Reference |
2,6-Dimethyl-3,5-dinitro-4-t-butylacetophenone(81-14-1) |
| EPA Substance Registry System |
Musk ketone (81-14-1) |
| 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 |
| toxicity |
Both the acute oral LD50 in rats and the acute dermal LD50 in rabbits exceeded 10 g/kg (Fogleman, 1970). |
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| Musk ketone Usage And Synthesis |
| Chemical Properties |
White to light yellow crystal powde |
| Chemical Properties |
It 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. |
| Occurrence |
Has apparently not been reported to occur in nature. |
| Uses |
Musk ketone is used as fragrance and fixative in after-shave lotions, perfumes, ete. |
| Preparation |
Nitration of the corresponding benzene derivative (Bedoukian, 1967). |
| General Description |
Light yellow crystalline solid. Insoluble in water. |
| Air & Water Reactions |
Insoluble in water. |
| Reactivity Profile |
A 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 Hazard |
Flash point data is not available for Musk ketone, however, Musk ketone is probably combustible. |
| Purification Methods |
Purify 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.] |
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| Musk ketone Preparation Products And Raw materials |
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