| Identification | More | [Name]
Musk ketone | [CAS]
81-14-1 | [Synonyms]
1-[4-(TERT-BUTYL)-2,6-DIMETHYL-3,5-DINITROPHENYL]ETHAN-1-ONE
1-(4-TERT-BUTYL-2,6-DIMETHYL-3,5-DINITRO-PHENYL)-ETHANONE
2,6-DINITRO-3,5-DIMETHYL-4-ACETYL-TERT-BUTYLBENZENE
4-TERT-BUTYL-2,6-DIMETHYL-3,5-DINITROACETOPHENONE
4-TERT-BUTYL-3,5-DINITRO-2,6-DIMETHYL ACETOPHENONE
KETONE MOSCHUS
MOSCHUS
MUSK KETONE
1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)-ethanon
1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-ethanon
1-Acetyl-4-tert-butyl-2,6-dimethyl-3,5-dinitrobenzene
2-acetyl-5-tert-butyl-4,6-dinitroxylene
3,5-Dinitro-2,6-dimethyl-4-tert-butyl acetophenone
3’,5’-dinitro-2’,6’-dimethyl-4’-tert-butylacetophenone
4’-tert-butyl-2’,6’-dimethyl-3’,5’-dinitro-acetophenon
4’-tert-Butyl-2’,6-dimethyl-3’,5’dmnitroacetophenone
4-t-Butyl-2,6-dimethyl-3,5-dinitroacetophenone
4-tert-Butyl-2,6-dimethyl-3,5-dinitroactophenone
Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-
Acetyl-dinitro-butyl-xylene | [EINECS(EC#)]
201-328-9 | [Molecular Formula]
C14H18N2O5 | [MDL Number]
MFCD00024271 | [Molecular Weight]
294.3 | [MOL File]
81-14-1.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystal powde | [Melting point ]
134-137 °C | [Boiling point ]
436.08°C (rough estimate) | [density ]
1.2051 (rough estimate) | [vapor pressure ]
0.001Pa@25°C | [refractive index ]
1.5110 (estimate) | [Fp ]
2 °C | [storage temp. ]
2-8°C | [solubility ]
DMSO : 250 mg/mL (849.47 mM; Need ultrasonic) | [form ]
Solid | [color ]
White to off-white | [Odor]
at 10.00 % in benzyl benzoate. fatty musk soapy dry floral powdery | [Stability:]
Stable. Incompatible with strong oxidizing agents, strong acids, strong bases. | [biological source]
synthetic | [Odor Type]
musk | [Water Solubility ]
Insoluble (<0.1 g/100 mL at 20 ºC) | [BRN ]
2062638 | [Cosmetics Ingredients Functions]
FRAGRANCE
PERFUMING | [InChIKey]
WXCMHFPAUCOJIG-UHFFFAOYSA-N | [LogP]
4.24 at 25℃ | [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]
81-14-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xn | [Risk Statements ]
R11:Highly Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36:Irritating to the eyes. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
UN1648 3/PG 2 | [WGK Germany ]
2
| [RTECS ]
KM5775841
| [HS Code ]
2914790060 | [Hazardous Substances Data]
81-14-1(Hazardous Substances Data) | [Toxicity]
Both the acute oral LD50 in rats and the acute dermal LD50 in rabbits exceeded 10 g/kg (Fogleman, 1970). |
| Hazard Information | Back Directory | [General Description]
Light yellow crystalline solid. 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. | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
Flash point data is not available for this compound, however, MUSK KETONE is probably combustible. | [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. | [Chemical Properties]
White to light yellow crystal powde | [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. | [Definition]
ChEBI: 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone is an aromatic ketone. | [Preparation]
Nitration of the corresponding benzene derivative (Bedoukian, 1967). | [Health Hazard]
Several studies provided convincing evidence of lack of a genotoxic potential for musk ketone (MK). However, MK was identified as a strong inducer of phase I enzymes in rodents and a cogenotoxicant in vitro in human derived cells in rather low doses, suggesting that exposure to MK might increase the susceptibility to health hazards caused by carcinogens in humans. | [Flammability and Explosibility]
Notclassified(100%) | [Potential Exposure]
As a result of its inherently low biodegradability, musk ketone (MK) has been detected in the aquatic environment (surface water, sediments, edible fish). Moreover, it has been shown that MK concentrates in human fatty tissue and breast milk, indicating that humans are constantly exposed. | [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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