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| CAS No.: | 81-14-1 |
|---|---|
| Name: | Musk ketone |
| Molecular Structure: | |
|
|
|
| Formula: | C14H18N2O5 |
| Molecular Weight: | 294.307 |
| Synonyms: | Acetophenone,4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- (6CI,7CI,8CI);1-tert-Butyl-3,5-dimethyl-2,6-dinitro-4-acetyl benzene;2,6-Dimethyl-3,5-dinitro-4-tert-butyl acetophenone;3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone;3,5-Dinitro-4-tert-butyl-2,6-dimethylacetophenone;4-Aceto-3,5-dimethyl-2,6-dinitro-tert-butylbenzene;4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone;4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone; |
| EINECS: | 201-328-9 |
| Density: | 1.206 g/cm3 |
| Melting Point: | 135-139°C(lit.) |
| Boiling Point: | 369 °C at 760 mmHg |
| Flash Point: | 153.2 °C |
| Solubility: | Insoluble (<0.1 g/100 mL at 20 °C) |
| Appearance: | White to light yellow crystal powder |
| Hazard Symbols: |
 F，  Xn
|
| Risk Codes: | 11-20/21/22-36 |
| Safety: | 16-36/37 |
| Transport Information: | UN1648 3/PG 2 |
| PSA: | 108.71000 |
| LogP: | 4.66630 |
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Chemistry
IUPAC Name: 1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Synonyms of Musk ketone (CAS NO.81-14-1): 1-(4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone ; 2,6-Dinitro-3,5-dimethyl-4-acetyl-tert-butylbenzene ; 2-Acetyl-5-tert-butyl-4,6-dinitroxylene ; 3,5-Dinitro-2,6-dimethyl-4-tert-butylacetophenone ; 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone ; Ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)-
CAS NO: 81-14-1
The Molecular Formula: C14H18N2O5
The Molecular Weight: 294.3
The Molecular Structure: 
EINECS: 201-328-9
Melting point: 135-139°C(lit.)
Boiling Point: 369 °C at 760 mmHg
Flash Point: 153.2 °C
Index of Refraction: 1.547
Molar Refractivity: 77.4 cm3
Molar Volume: 243.8 cm3
Surface Tension: 43.6 dyne/cm
Density: 1.206 g/cm3
Enthalpy of Vaporization: 61.58 kJ/mol
Vapour Pressure: 1.22E-05 mmHg at 25°C
Storage temp: 2-8°C
Water Solubility: Insoluble (<0.1 g/100 mL at 20 °C)
Stability: Stable.Incompatible with strong oxidizing agents, strong acids, strong bases.
Appearance: White to light yellow crystal powder
Product Categories : 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...
Uses
Musk ketone (CAS NO.81-14-1) is used as a fragrance and make-up set deodorant soap flavor.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 10gm/kg (10000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 877, 1975. | |
| rabbit | LD50 | unreported | 10gm/kg (10000mg/kg) | Bulletin of Environmental Contamination and Toxicology. Vol. 26, Pg. 656, 1981. | |
| rat | LD50 | oral | > 10gm/kg (10000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 877, 1975 |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information about Musk ketone (CAS NO.81-14-1):
Hazard Codes: 
F,
Xn
Risk Statements: 11-20/21/22-36
R11: Highly flammable.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36: Irritating to eyes.
Safety Statements: 16-36/37
S16: Keep away from sources of ignition.
S36/37: Wear suitable protective clothing and gloves.
RIDADR: UN1648 3/PG 2
WGK Germany: 2
RTECS: KM5775841
Low toxicity by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx.
Specification
Musk ketone (CAS NO.81-14-1) is 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.