Musk Ketone

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;Synthetic Musk ketone;4’-tert-butyl-2’,6’-dimethyl-3’,5’-dinitro-acetophenon

CAS:

81-14-1

MF:

C14H18N2O5

MW:

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

Melting point 

135-139 °C(lit.)

Boiling point 

436.08°C (rough estimate)

density 

1.2051 (rough estimate)

refractive index 

1.5110 (estimate)

Fp 

2 °C

storage temp. 

2-8°C

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

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)

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

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.

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.

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.]

Raw materials

Zinc chloride-->Ferric chloride-->2-Methyl-1-propanol-->m-Xylene-->5-TERT-BUTYL-M-XYLENE-->4'-tert-Butylacetophenone