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ChemicalBook--->CAS DataBase List--->81-15-2

81-15-2

81-15-2 Structure

81-15-2 Structure
IdentificationMore
[Name]

Musk xylene
[CAS]

81-15-2
[Synonyms]

2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene
2,4,6-TRINITRO-1-TERT-BUTYL-3,5-DIMETHYLBENZENE
2,4,6-trinitro-5-tert-butyl-1,3-xylene
5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE
LABOTEST-BB LT00111956
MUSK XLYENE
MUSK XYLENE
MUSK XYLOL
1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-benzen
1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene
1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-Benzene
1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzen
1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene
1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzene
1-tert-Butyl-3,5-dimethyl-2,4,6-trinitro-benzol
2,4,6-Trinitro-3,5-dimethyl-1-(1,1-dimethylethyl)-benzene
2,4,6-trinitro-3,5-dimethyl-1-tert-butylbenzene
2,4,6-Trinitro-3,5-dimethyl-tert-butylbenzene
5-t-Butyl-2,4,6-trinitro-m-xylene
5-tert-butyl-2,4,6-trinitro-m-xylen
[EINECS(EC#)]

201-329-4
[Molecular Formula]

C12H15N3O6
[MDL Number]

MFCD00024270
[Molecular Weight]

297.26
[MOL File]

81-15-2.mol
Chemical PropertiesBack Directory
[Melting point ]

235.4°C
[Boiling point ]

438.78°C (rough estimate)
[density ]

1.3226 (rough estimate)
[refractive index ]

1.5290 (estimate)
[Fp ]

2 °C
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[color ]

White to Pale Yellow
[Odor]

at 10.00 % in benzyl benzoate. fatty dry sweet soapy musk
[Odor Type]

musk
[BRN ]

2015910
[LogP]

4.369 (est)
[CAS DataBase Reference]

81-15-2(CAS DataBase Reference)
[IARC]

3 (Vol. 65) 1996
[NIST Chemistry Reference]

2,4,6-Trinitro-1,3-dimethyl-5-t-butylbenzene(81-15-2)
[EPA Substance Registry System]

81-15-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

E,Xn,N,F
[Risk Statements ]

R2:Risk of explosion by shock, friction, fire or other sources of ignition.
R40:Limited evidence of a carcinogenic effect.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36:Irritating to the eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S46:If swallowed, seek medical advice immediately and show this container or label .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

2956
[WGK Germany ]

2
[Safety Profile]

Low oral toxicity. A human skin irritant. A flammable solid. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
[Hazardous Substances Data]

81-15-2(Hazardous Substances Data)
[Toxicity]

The acute oral LD50 in rats was reported as >10 g/kg and the acute dermal LD50 in rabbits as > 15 g/kg (Fogleman, 1970).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitric acid-->Aluminum chloride-->Aluminium chloride hexahydrate-->m-Xylene-->2-Chloro-2-methylpropane-->Dehydrolyzing agent-->tert-Butylbenzene-->1-tert-Butyl-3,5-dimethylbenzene-->Benzene, 1-(1,1-dimethylethyl)-2,4-dimethyl--->1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitrobenzene-->4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE-->Musk ketone-->4'-TERT-BUTYL-2',6'-DIMETHYLACETOPHENONE
Hazard InformationBack Directory
[General Description]

5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE(81-15-2) is a white to light-colored crystalline solid. 5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE(81-15-2) is insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
[Reactivity Profile]

Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact.
[Air & Water Reactions]

Highly flammable. Insoluble in water.
[Health Hazard]

Inhalation or contact with vapors, substance or decomposition products may cause severe injury or death. May produce irritating, toxic and/or corrosive gases. Runoff from fire control may cause pollution.
[Fire Hazard]

Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact. May be ignited by heat, sparks or flames. Some may decompose explosively when heated or involved in a fire. May burn violently. Decomposition may be self-accelerating and produce large amounts of gases. Vapors or dust may form explosive mixtures with air.
[Chemical Properties]

Pale Yellow Solid
[Occurrence]

Has apparently not been reported to occur in nature.
[Uses]

Musk Xylene is a synthetic nitro musk. Musk Xylene is used in fragrances and soap to mimic natural musk. Studies suggest that formation of Xylene Musk adducts of rainbow trout Hb can be potentially us ed as biomarker of exposure.
[Uses]

Musk xylene is used as fragrance and fixative in after shave lotions, performs etc.; musk compound of choice for soap and detergent fragrances; some perfumery uses (soap; Norell; oriental; chypre; herbal).
[Definition]

ChEBI: A C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6 as well as a tert-butyl group at position 5.
[Preparation]

By nitration of the corresponding benzene derivative (Bedoukian, 1967).
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Musk xylene(81-15-2).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Musk xylene(81-15-2)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

81-15-2(sigmaaldrich)
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