Compound

D0641 | 2,4,6-trinitro-1,3-dimethyl-5-tert-butylbenzene

Molecular Formula C12H15N3O6
Molecular Weight 297.26
Structure

Toxicity Dose Time Species Model Method Action Positive criterion Reference
MEMBRANE POTENTIAL 20.09±6.09 human qHTS-HepG2 MMP assay decrease IC50 163
MEMBRANE POTENTIAL 7.94 human HepG2 MMP assay decrease IC50 163
MEMBRANE POTENTIAL rat hepatocytes MMP assay Negative IC50 163

Pictogram Signal Statements Precautionary Statement Codes
Danger

H201: Explosive


mass explosion hazard [Danger Explosives]


H351: Suspected of causing cancer [Warning Carcinogenicity]


H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]


H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]


P201, P202, P210, P230, P240, P250, P273, P280, P281, P308+P313, P370+P380, P372, P373, P391, P401, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)
Danger

Aggregated GHS information provided by 199 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.


H201 (100%): Explosive


mass explosion hazard [Danger Explosives]


H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]


H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]


H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]


Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.


P201, P202, P210, P230, P240, P250, P273, P280, P281, P308+P313, P370+P380, P372, P373, P391, P401, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)
Danger

H201: Explosive


mass explosion hazard [Danger Explosives]


H351: Suspected of causing cancer [Warning Carcinogenicity]


H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]


P201, P202, P210, P230, P240, P250, P273, P280, P281, P308+P313, P370+P380, P372, P373, P391, P401, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)
Warning

H228: Flammable solid [Danger Flammable solids]


H320: Causes eye irritation [Warning Serious eye damage/eye irritation]


H351: Suspected of causing cancer [Warning Carcinogenicity]


P201, P202, P210, P240, P241, P264, P280, P281, P305+P351+P338, P308+P313, P337+P313, P370+P378, P405, and P501; (The corresponding statement to each P-code can be found at the GHS Classification page.)

Organism Test type Route Dose (normalized dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg) Food and Chemical Toxicology. Vol. 28, Pg. 581, 1990.
rat LD50 oral > 10gm/kg (10000mg/kg) Bulletin of Environmental Contamination and Toxicology. Vol. 26, Pg. 656, 1981.
rabbit LD50 skin > 15gm/kg (15000mg/kg) Bulletin of Environmental Contamination and Toxicology. Vol. 26, Pg. 656, 1981.


  • 1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene 1-t-butyl-3,5-dimethyl-2,4,6-trinitrobenzene 1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene
    1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzene 1ZAO16GU5K 2,4,6-Trinitro-1,3-dimethyl-5-t-butylbenzene
    2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene 2,4,6-Trinitro-3,5-dimethyl-1-tert-butylbenzene 2,4,6-Trinitro-3,5-dimethyl-tert-butylbenzene
    2,4,6-Trinitro-5-tert-butyl-m-xylene 2,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene 2,6-Trinitro-3,5-dimethyl-tert-butylbenzene
    4-05-00-01132 (Beilstein Handbook Reference) 5-t-Butyl-2,4,6-trinitro-m-xylene 5-tert-Butyl-2,4,6-trinitro-m-xylene
    5-tert-Butyl-2,4,6-trinitro-m-xylene or musk xylene 5-tert-Butyl-2,4,6-trinitro-m-xylene or musk xylene [UN2956] [Flammable solid] 5-tert-Butyl-2,4,6-trinitro-m-xylene or musk xylene [UN2956] [Flammable solid]
    5-tert-Butyl-2,4,6-trinitroxylene 5-tert-butyl-2,4,6-trinitro-meta-xylene 81-15-2
    A840054 AI3-09017 AKOS015890367
    BENZENE, 1-(1,1-DIMETHYLETHYL)-3,5-DIMETHYL-2,4,6-TRINITRO- BRN 2015910 Benzene, 1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-
    Benzene,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro- Benzene,5-dimethyl-2,4,6-trinitro- C19462
    CAS-81-15-2 CCRIS 2391 CHEBI:77320
    CHEMBL228513 DSSTox_CID_1405 DSSTox_GSID_21405
    DSSTox_RID_76143 DTXSID1021405 EINECS 201-329-4
    FT-0620779 HSDB 7692 LS-7740
    MCULE-2438654421 MFCD00024270 Musk xylene
    Musk xylene 10 microg/mL in Cyclohexane Musk xylene 100 microg/mL in Cyclohexane Musk xylene solution, 100 mug/mL in acetonitrile, analytical standard
    Musk xylol Muskxylene;2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene;2,4,6-Trinitro-5-tert-butyl-1,3-xylene; NCGC00255244-01
    NSC 59844 NSC-59844 NSC59844
    Q425330 S184 SCHEMBL273394
    Tox21_302248 UN2956 UNII-1ZAO16GU5K
    XMWRWTSZNLOZFN-UHFFFAOYSA-N Xylene musk ZINC40454343
    m-Xylene, 5-tert-butyl-2,4,6-trinitro- m-Xylene, 5-tert-butyl-2,4,6-trinitro- (8CI)

    CAS Number 81-15-2
    PubChem Compound 62329
    ChEBI 77320