Musk ketone Chemical Properties

Melting point:

134-137 °C

Boiling point:

436.08°C (rough estimate)

Density 

1.2051 (rough estimate)

vapor pressure 

0.001Pa at 25℃

refractive index 

1.5110 (estimate)

Flash point:

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

Odor Type

musk

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

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

Musk ketone (81-14-1)

Safety Information

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

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).

MSDS

• Language:English Provider:Musk ketone
• Language:English Provider:SigmaAldrich

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.

Definition

ChEBI: 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone is an aromatic ketone.

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.

Flammability and Explosibility

Not classified

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.]

Musk ketone(81-14-1)Related Product Information

• N,N-Dimethyldodecylamine
• tert-Butyl methyl ether
• Muscone
• ETHANE
• Dimethyl ether
• Musk xylene
• 3-Nitroacetophenone
• Dimethyl fumarate
• L-PICEIN
• Buprofezin
• 4-Nitroacetophenone
• Dimethyl phthalate
• N,N-Dimethylformamide
• tert-Butyl hydroperoxide
• tert-Butyldimethylsilyl chloride
• Dimethyl sulfoxide
• Dimethyl sulfide
• Acetophenone