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Product Name: |
Musk ketone |
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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;Synthetic Musk ketone;4’-tert-butyl-2’,6’-dimethyl-3’,5’-dinitro-acetophenon |
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CAS: |
81-14-1 |
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MF: |
C14H18N2O5 |
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MW: |
294.3 |
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EINECS: |
201-328-9 |
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Product Categories: |
Cosmetics;Food & Feed ADDITIVES;Aromatic Acetophenones & Derivatives (substituted);Organics;KetonesAlphabetic;Analytical Standards;AromaticsAnalytical Standards;Chemical Class;Life Sciences Standards;M;METI - MZChromatography;Natural Compounds;Natural CompoundsAnalytical Standards;Nitro CompoundsChemical Class;OtherMore...Close... |
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Mol File: |
81-14-1.mol |
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Melting point |
135-139 °C(lit.) |
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Boiling point |
436.08°C (rough estimate) |
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density |
1.2051 (rough estimate) |
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refractive index |
1.5110 (estimate) |
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Fp |
2 °C |
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storage temp. |
2-8°C |
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Water Solubility |
Insoluble (<0.1 g/100 mL at 20 ºC) |
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BRN |
2062638 |
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Stability: |
Stable. Incompatible with strong oxidizing agents, strong acids, strong bases. |
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InChIKey |
WXCMHFPAUCOJIG-UHFFFAOYSA-N |
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CAS DataBase Reference |
81-14-1(CAS DataBase Reference) |
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NIST Chemistry Reference |
2,6-Dimethyl-3,5-dinitro-4-t-butylacetophenone(81-14-1) |
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EPA Substance Registry System |
Musk ketone (81-14-1) |
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Hazard Codes |
F,Xn,N |
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Risk Statements |
11-20/21/22-36-50/53-40 |
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Safety Statements |
16-36/37-61-60-46 |
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RIDADR |
UN1648 3/PG 2 |
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WGK Germany |
2 |
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RTECS |
KM5775841 |
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Chemical Properties |
White to light yellow crystal powde |
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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. |
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General Description |
Light yellow crystalline solid. Insoluble in water. |
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Air & Water Reactions |
Insoluble in water. |
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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. |
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Fire Hazard |
Flash point data is not available for Musk ketone, however, Musk ketone is probably combustible. |
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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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Raw materials |
Zinc chloride-->Ferric chloride-->2-Methyl-1-propanol-->m-Xylene-->5-TERT-BUTYL-M-XYLENE-->4'-tert-Butylacetophenone |
