81-14-1

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 NO: 81-14-1
• Molecular Formula: C₁₄H₁₈N₂O₅
• Molecular Weight: 294.3
• EINECS: 201-328-9
• 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...
• Mol File: 81-14-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 135-139 °C(lit.)
• Boiling Point: 436.08°C (rough estimate)
• Flash Point: 2 °C
• Appearance: White to light yellow crystal powder
• Density: 1.2051 (rough estimate)
• Vapor Pressure: 0.000176mmHg at 25°C
• Refractive Index: 1.5110 (estimate)
• Storage Temp.: 2-8°C
• Water Solubility: Insoluble (
• Stability: Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.
• BRN: 2062638
• CAS DataBase Reference: Musk ketone(CAS DataBase Reference)
• NIST Chemistry Reference: Musk ketone(81-14-1)
• EPA Substance Registry System: Musk ketone(81-14-1)

Safety Data

• Hazard Codes: F,Xn,N
• 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
• Hazardous Substances Data: 81-14-1(Hazardous Substances Data)

Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 81-14-1 differently. You can refer to the following data:
1. White to light yellow crystal powde
2. 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.

Fire Hazard

Flash point data is not available for Musk ketone, however, Musk ketone is probably combustible.

Flammability and Explosibility

Notclassified

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.]

InChI:InChI=1/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3

Upstream product

• 2040-10-0 4-tert-butyl-2,6-dimethylacetophenone 
• 98-19-1 5-tert-Butyl-m-xylene 

Relevant articles and documents

Modified and convenient methods for the preparation of some nitro musks

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Non-acid synthesis of nitro musks based on the ozone-mediated nitration using nitrogen dioxide

Three nitro musks, musk xylol 1, musk ketone 2 and musk ambrette 3, were prepared in good to moderate yield by direct polynitration of the respective aromatic materials with nitrogen dioxide in the presence of ozone.