81-15-2,MFCD00024270
Catalog No.:AA00JKED

81-15-2 | 2,4,6-Trinitro-1-tert-butyl-3,5-dimethylbenzene

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00JKED
Chemical Name:
2,4,6-Trinitro-1-tert-butyl-3,5-dimethylbenzene
CAS Number:
81-15-2
Molecular Formula:
C12H15N3O6
Molecular Weight:
297.2640
MDL Number:
MFCD00024270
SMILES:
[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C
NSC Number:
59844
UN Number:
2956
Properties
Computed Properties
 
Complexity:
416  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.8  

Literature

Title: In-vivo passive sampling to measure elimination kinetics in bioaccumulation tests.

Journal: Chemosphere 20120601

Title: Identification of bound nitro musk-protein adducts in fish liver by gas chromatography-mass spectrometry: biotransformation, dose-response and toxicokinetics of nitro musk metabolites protein adducts in trout liver as biomarkers of exposure.

Journal: Aquatic toxicology (Amsterdam, Netherlands) 20120115

Title: Levels and distribution of synthetic musks and polycyclic aromatic hydrocarbons in sludge collected from Guangdong Province.

Journal: Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20120101

Title: Time-dependent modulation of cyp1a gene transcription and EROD activity by musk xylene in PLHC-1 and RTG-2 fish cell lines.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20111201

Title: Transformation products and reaction kinetics of fragrances in advanced wastewater treatment with ozone.

Journal: Chemosphere 20111101

Title: [Occurrence of synthetic musks in human milk samples collected from Beijing].

Journal: Wei sheng yan jiu = Journal of hygiene research 20110901

Title: High-sensitivity analysis of six synthetic musks by ultra-performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry.

Journal: Analytical chemistry 20110615

Title: Levels of synthetic musk fragrances in human milk from three cities in the Yangtze River Delta in Eastern China.

Journal: Journal of environmental sciences (China) 20110101

Title: Seasonal occurrence and behavior of synthetic musks (SMs) during wastewater treatment process in Shanghai, China.

Journal: The Science of the total environment 20100901

Title: Higher blood concentrations of synthetic musks in women above fifty years than in younger women.

Journal: International journal of hygiene and environmental health 20100301

Title: Inputs and distributions of synthetic musk fragrances in an estuarine and coastal environment; a case study.

Journal: Environmental pollution (Barking, Essex : 1987) 20100101

Title: The interference of nitro- and polycyclic musks with endogenous and xenobiotic metabolizing enzymes in carp: an in vitro study.

Journal: Environmental science & technology 20091215

Title: Simultaneous determination of trace polycyclic and nitro musks in water samples using optimized solid-phase extraction by gas chromatography and mass spectrometry.

Journal: Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20090901

Title: Concentrations of synthetic musk compounds in personal care and sanitation products and human exposure profiles through dermal application.

Journal: Chemosphere 20071101

Title: Food web-specific biomagnification of persistent organic pollutants.

Journal: Science (New York, N.Y.) 20070713

Title: Synthetic musk fragrances in human milk from the United States.

Journal: Environmental science & technology 20070601

Title: Synthetic musk fragrances in environmental Standard Reference Materials.

Journal: Analytical and bioanalytical chemistry 20070401

Title: Levels, tissue distribution, and age-related accumulation of synthetic musk fragrances in Chinese sturgeon (Acipenser sinensis): comparison to organochlorines.

Journal: Environmental science & technology 20070115

Title: Determination of synthetic musk compounds in sewage biosolids by gas chromatography/mass spectrometry.

Journal: Journal of environmental monitoring : JEM 20060901

Title: Occurrence of synthetic musk fragrances in marine mammals and sharks from Japanese coastal waters.

Journal: Environmental science & technology 20050515

Title: Simultaneous congener-specific determination of selected organochlorine compounds and nitro musks in human whole blood samples by solid-phase extraction and capillary gas chromatography with electron capture detection.

Journal: Journal of analytical toxicology 20050301

Title: Determination of hemoglobin adduct of a musk xylene metabolite in trout as biomarker of exposure by gas chromatography mass spectrometry.

Journal: Journal of environmental sciences (China) 20050101

Title: Determination of a bound musk xylene metabolite in carp hemoglobin as a biomarker of exposure by gas chromatography-mass spectrometry using selected ion monitoring.

Journal: Journal of analytical toxicology 20041001

Title: Synthetic musk toxicity to early life stages of zebrafish (Danio rerio).

Journal: Archives of environmental contamination and toxicology 20040101

Title: Fatal attraction: synthetic musk fragrances compromise multixenobiotic defense systems in mussels.

Journal: Marine environmental research 20040101

Title: Dermal absorption and disposition of musk ambrette, musk ketone and musk xylene in human subjects.

Journal: Toxicology letters 20020528

Title: Synthetic musks in the environment. Part 1: Species-dependent bioaccumulation of polycyclic and nitro musk fragrances in freshwater fish and mussels.

Journal: Archives of environmental contamination and toxicology 20020501

Title: Evaluation of carcinogenic potential of two nitro-musk derivatives, musk xylene and musk tibetene in a host-mediated in vivo/in vitro assay system.

Journal: Anticancer research 20020101

Title: Nitromusk compounds in women with gynecological and endocrine dysfunction.

Journal: Environmental research 20011201

Title: Trends in the musk xylene concentrations in plasma samples from the general population from 1992/1993 to 1998 and the relevance of dermal uptake.

Journal: International archives of occupational and environmental health 20010901

Title: Distribution of persistent lipophilic contaminants in fish from the Grand Duchy of Luxembourg.

Journal: Bulletin of environmental contamination and toxicology 20010201

Title: Effects of musk xylene and musk ketone on rat hepatic cytochrome P450 enzymes.

Journal: Toxicology letters 19991220

Title: Characterization of the effects of musk ketone on mouse hepatic cytochrome P450 enzymes.

Journal: Fundamental and applied toxicology : official journal of the Society of Toxicology 19971201

Title: Induction of mouse cytochrome P450 2B enzymes by amine metabolites of musk xylene: contribution of microsomal enzyme induction to the hepatocarcinogenicity of musk xylene.

Journal: Molecular carcinogenesis 19971101

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SDS
Related Products of 81-15-2
Tags:81-15-2 Molecular Formula|81-15-2 MDL|81-15-2 SMILES|81-15-2 2,4,6-Trinitro-1-tert-butyl-3,5-dimethylbenzene
Catalog No.: AA00JKED
81-15-2,MFCD00024270
81-15-2 | 2,4,6-Trinitro-1-tert-butyl-3,5-dimethylbenzene
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00JKED
Chemical Name: 2,4,6-Trinitro-1-tert-butyl-3,5-dimethylbenzene
CAS Number: 81-15-2
Molecular Formula: C12H15N3O6
Molecular Weight: 297.2640
MDL Number: MFCD00024270
SMILES: [O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C
NSC Number: 59844
UN Number: 2956
Properties
Complexity: 416  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.8  
Literature fold

Title: In-vivo passive sampling to measure elimination kinetics in bioaccumulation tests.

Journal: Chemosphere20120601

Title: Identification of bound nitro musk-protein adducts in fish liver by gas chromatography-mass spectrometry: biotransformation, dose-response and toxicokinetics of nitro musk metabolites protein adducts in trout liver as biomarkers of exposure.

Journal: Aquatic toxicology (Amsterdam, Netherlands)20120115

Title: Levels and distribution of synthetic musks and polycyclic aromatic hydrocarbons in sludge collected from Guangdong Province.

Journal: Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering20120101

Title: Time-dependent modulation of cyp1a gene transcription and EROD activity by musk xylene in PLHC-1 and RTG-2 fish cell lines.

Journal: Toxicology in vitro : an international journal published in association with BIBRA20111201

Title: Transformation products and reaction kinetics of fragrances in advanced wastewater treatment with ozone.

Journal: Chemosphere20111101

Title: [Occurrence of synthetic musks in human milk samples collected from Beijing].

Journal: Wei sheng yan jiu = Journal of hygiene research20110901

Title: High-sensitivity analysis of six synthetic musks by ultra-performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry.

Journal: Analytical chemistry20110615

Title: Levels of synthetic musk fragrances in human milk from three cities in the Yangtze River Delta in Eastern China.

Journal: Journal of environmental sciences (China)20110101

Title: Seasonal occurrence and behavior of synthetic musks (SMs) during wastewater treatment process in Shanghai, China.

Journal: The Science of the total environment20100901

Title: Higher blood concentrations of synthetic musks in women above fifty years than in younger women.

Journal: International journal of hygiene and environmental health20100301

Title: Inputs and distributions of synthetic musk fragrances in an estuarine and coastal environment; a case study.

Journal: Environmental pollution (Barking, Essex : 1987)20100101

Title: The interference of nitro- and polycyclic musks with endogenous and xenobiotic metabolizing enzymes in carp: an in vitro study.

Journal: Environmental science & technology20091215

Title: Simultaneous determination of trace polycyclic and nitro musks in water samples using optimized solid-phase extraction by gas chromatography and mass spectrometry.

Journal: Analytical sciences : the international journal of the Japan Society for Analytical Chemistry20090901

Title: Concentrations of synthetic musk compounds in personal care and sanitation products and human exposure profiles through dermal application.

Journal: Chemosphere20071101

Title: Food web-specific biomagnification of persistent organic pollutants.

Journal: Science (New York, N.Y.)20070713

Title: Synthetic musk fragrances in human milk from the United States.

Journal: Environmental science & technology20070601

Title: Synthetic musk fragrances in environmental Standard Reference Materials.

Journal: Analytical and bioanalytical chemistry20070401

Title: Levels, tissue distribution, and age-related accumulation of synthetic musk fragrances in Chinese sturgeon (Acipenser sinensis): comparison to organochlorines.

Journal: Environmental science & technology20070115

Title: Determination of synthetic musk compounds in sewage biosolids by gas chromatography/mass spectrometry.

Journal: Journal of environmental monitoring : JEM20060901

Title: Occurrence of synthetic musk fragrances in marine mammals and sharks from Japanese coastal waters.

Journal: Environmental science & technology20050515

Title: Simultaneous congener-specific determination of selected organochlorine compounds and nitro musks in human whole blood samples by solid-phase extraction and capillary gas chromatography with electron capture detection.

Journal: Journal of analytical toxicology20050301

Title: Determination of hemoglobin adduct of a musk xylene metabolite in trout as biomarker of exposure by gas chromatography mass spectrometry.

Journal: Journal of environmental sciences (China)20050101

Title: Determination of a bound musk xylene metabolite in carp hemoglobin as a biomarker of exposure by gas chromatography-mass spectrometry using selected ion monitoring.

Journal: Journal of analytical toxicology20041001

Title: Synthetic musk toxicity to early life stages of zebrafish (Danio rerio).

Journal: Archives of environmental contamination and toxicology20040101

Title: Fatal attraction: synthetic musk fragrances compromise multixenobiotic defense systems in mussels.

Journal: Marine environmental research20040101

Title: Dermal absorption and disposition of musk ambrette, musk ketone and musk xylene in human subjects.

Journal: Toxicology letters20020528

Title: Synthetic musks in the environment. Part 1: Species-dependent bioaccumulation of polycyclic and nitro musk fragrances in freshwater fish and mussels.

Journal: Archives of environmental contamination and toxicology20020501

Title: Evaluation of carcinogenic potential of two nitro-musk derivatives, musk xylene and musk tibetene in a host-mediated in vivo/in vitro assay system.

Journal: Anticancer research20020101

Title: Nitromusk compounds in women with gynecological and endocrine dysfunction.

Journal: Environmental research20011201

Title: Trends in the musk xylene concentrations in plasma samples from the general population from 1992/1993 to 1998 and the relevance of dermal uptake.

Journal: International archives of occupational and environmental health20010901

Title: Distribution of persistent lipophilic contaminants in fish from the Grand Duchy of Luxembourg.

Journal: Bulletin of environmental contamination and toxicology20010201

Title: Effects of musk xylene and musk ketone on rat hepatic cytochrome P450 enzymes.

Journal: Toxicology letters19991220

Title: Characterization of the effects of musk ketone on mouse hepatic cytochrome P450 enzymes.

Journal: Fundamental and applied toxicology : official journal of the Society of Toxicology19971201

Title: Induction of mouse cytochrome P450 2B enzymes by amine metabolites of musk xylene: contribution of microsomal enzyme induction to the hepatocarcinogenicity of musk xylene.

Journal: Molecular carcinogenesis19971101

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