Musk Xylene
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Musk Xylene
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CAS No:
81-15-2
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Formula:
C12H15N3O6
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Chemical Name:
Musk Xylene
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Synonyms:
Benzene,1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-;m-Xylene,5-tert-butyl-2,4,6-trinitro-;1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene;1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene;5-tert-Butyl-2,4,6-trinitro-m-xylene;Musk xylol;2,4,6-Trinitro-5-tert-butyl-m-xylene;Xylene musk;2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene;Musk Xylene;2,4,6-Trinitro-3,5-dimethyl-tert-butylbenzene;Moschus xylol;NSC 59844
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CAS No:
Characteristics
138
4.9
5-tert-Butyl-2,4,6-trinitro-m-xylene is a white to light-colored crystalline solid. It 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.
0.77 g/cu cm
110 °C
392.3 °C
2 °C
1.573
Slightly soluble in ethanol; soluble in ethyl ether, chloroform
2-8°C
2.25X10-7 mm Hg at 25 deg C
Strong musk odor
Safety Information
2956
2
2-40-50/53-36-20/21/22-11
36/37-46-60-61-16
E,Xn,N,F
P210-P261-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235
H225-H302 + H312 + H332-H319
Musk Xylene Use and Manufacturing
By tert-butane chloride in the presence of aluminum trichloride and m-xylene reaction to generate 1, 3-dimethyl-5-tert-butylbenzene, and then concentrated nitrate obtained.
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 used as biomarker of exposure.
Computed Properties
Molecular Weight:297.26
XLogP3:3.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:297.09608521
Monoisotopic Mass:297.09608521
Topological Polar Surface Area:138
Heavy Atom Count:21
Complexity:416
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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