81-14-1,MFCD00024271
Catalog No.:AA003S3Y

81-14-1 | Musk ketone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
99%(HPLCGC)
in stock  
$31.00   $22.00
- +
25g
99%(HPLCGC)
in stock  
$50.00   $35.00
- +
100g
99%(HPLCGC)
in stock  
$132.00   $93.00
- +
250g
≥ 99% (GC)
in stock  
$252.00   $176.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003S3Y
Chemical Name:
Musk ketone
CAS Number:
81-14-1
Molecular Formula:
C14H18N2O5
Molecular Weight:
294.3031
MDL Number:
MFCD00024271
SMILES:
[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C
NSC Number:
15339
Properties
Properties
 
BP:
369°C at 760 mmHg  
Form:
Solid  
MP:
134-137℃  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
418  
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:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.7  

Downstream Synthesis Route
2040-10-0    81-14-1   
4-<i>tert</i>-butyl-2,6-dimethyl-3,5-dinitro-benzoicacid 

[1]Carpenter;Easter[JournalofOrganicChemistry,1954,vol.19,p.77,83]

81-14-1   
1-(3-amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethanone 

[1]Gatermann,Robert;Huehnerfuss,Heinrich;Rimkus,Gerhard;Attar;Kettrup[Chemosphere,1998,vol.36,#11,p.2535-2547]

[2]Herren;Berset[Chemosphere,2000,vol.40,#5,p.565-574]

[1]Suzuki,Hitomi;Hisatome,Kaori;Nonoyama,Nobuaki[Synthesis,1999,#8,p.1291-1293]

[1]Suzuki,Hitomi;Hisatome,Kaori;Nonoyama,Nobuaki[Synthesis,1999,#8,p.1291-1293]

2040-10-0    81-14-1    71850-77-6   
1-(4-<i>tert</i>-butyl-2,6-dimethyl-3-nitro-phenyl)-ethanone 

[1]Suzuki,Hitomi;Hisatome,Kaori;Nonoyama,Nobuaki[Synthesis,1999,#8,p.1291-1293]

Literature

Title: Use of a combined effect model approach for discriminating between ABCB1- and ABCC1-type efflux activities in native bivalve gill tissue.

Journal: Toxicology and applied pharmacology 20160415

Title: Evaluation of aggregating brain cell cultures for the detection of acute organ-specific toxicity.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20130601

Title: The occurrence of synthetic musks in human breast milk in Sichuan, China.

Journal: Chemosphere 20120501

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: Antitumor and anti-invasive effects of diverse musk-fragrant macrocyclic ketones and their enhancement by hyperthermia.

Journal: Molecular medicine reports 20120101

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: 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: Development of a stir bar sorptive extraction and thermal desorption-gas chromatography-mass spectrometry method for determining synthetic musks in water samples.

Journal: Journal of chromatography. A 20110107

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: Stir-bar-sorptive extraction and liquid desorption combined with large-volume injection gas chromatography-mass spectrometry for ultra-trace analysis of musk compounds in environmental water matrices.

Journal: Analytical and bioanalytical chemistry 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: Biological transformation, kinetics and dose-response assessments of bound musk ketone hemoglobin adducts in rainbow trout as biomarkers of environmental exposure.

Journal: Journal of environmental sciences (China) 20080101

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

Journal: Chemosphere 20071101

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

Journal: Marine environmental research 20040101

Title: Inhibition of larval development of the marine copepod Acartia tonsa by four synthetic musk substances.

Journal: The Science of the total environment 20030415

Title: Effects of four synthetic musks on the life cycle of the harpacticoid copepod Nitocra spinipes.

Journal: Aquatic toxicology (Amsterdam, Netherlands) 20030410

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: Nitromusk compounds in women with gynecological and endocrine dysfunction.

Journal: Environmental research 20011201

Title: Musk ketone enhances benzo(a)pyrene induced mutagenicity in human derived Hep G2 cells.

Journal: Mutation research 20010822

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

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SDS
Related Products of 81-14-1
Tags:81-14-1 Molecular Formula|81-14-1 MDL|81-14-1 SMILES|81-14-1 Musk ketone
Catalog No.: AA003S3Y
81-14-1,MFCD00024271
81-14-1 | Musk ketone
Pack Size: 5g
Purity: 99%(HPLCGC)
in stock
$31.00 $22.00
Pack Size: 25g
Purity: 99%(HPLCGC)
in stock
$50.00 $35.00
Pack Size: 100g
Purity: 99%(HPLCGC)
in stock
$132.00 $93.00
Pack Size: 250g
Purity: ≥ 99% (GC)
in stock
$252.00 $176.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003S3Y
Chemical Name: Musk ketone
CAS Number: 81-14-1
Molecular Formula: C14H18N2O5
Molecular Weight: 294.3031
MDL Number: MFCD00024271
SMILES: [O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C
NSC Number: 15339
Properties
BP: 369°C at 760 mmHg  
Form: Solid  
MP: 134-137℃  
Storage: 2-8℃;  
Complexity: 418  
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: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.7  
Downstream Synthesis Route
2040-10-0    81-14-1   
4-<i>tert</i>-butyl-2,6-dimethyl-3,5-dinitro-benzoicacid 

[1]Carpenter;Easter[JournalofOrganicChemistry,1954,vol.19,p.77,83]

81-14-1   
1-(3-amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethanone 

[1]Gatermann,Robert;Huehnerfuss,Heinrich;Rimkus,Gerhard;Attar;Kettrup[Chemosphere,1998,vol.36,#11,p.2535-2547]

[2]Herren;Berset[Chemosphere,2000,vol.40,#5,p.565-574]

2040-10-0    81-15-2    81-14-1    71850-77-6 

[1]Suzuki,Hitomi;Hisatome,Kaori;Nonoyama,Nobuaki[Synthesis,1999,#8,p.1291-1293]

2040-10-0    81-14-1    71850-77-6 

[1]Suzuki,Hitomi;Hisatome,Kaori;Nonoyama,Nobuaki[Synthesis,1999,#8,p.1291-1293]

2040-10-0    81-14-1    71850-77-6   
1-(4-<i>tert</i>-butyl-2,6-dimethyl-3-nitro-phenyl)-ethanone 

[1]Suzuki,Hitomi;Hisatome,Kaori;Nonoyama,Nobuaki[Synthesis,1999,#8,p.1291-1293]

Literature fold

Title: Use of a combined effect model approach for discriminating between ABCB1- and ABCC1-type efflux activities in native bivalve gill tissue.

Journal: Toxicology and applied pharmacology20160415

Title: Evaluation of aggregating brain cell cultures for the detection of acute organ-specific toxicity.

Journal: Toxicology in vitro : an international journal published in association with BIBRA20130601

Title: The occurrence of synthetic musks in human breast milk in Sichuan, China.

Journal: Chemosphere20120501

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: Antitumor and anti-invasive effects of diverse musk-fragrant macrocyclic ketones and their enhancement by hyperthermia.

Journal: Molecular medicine reports20120101

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: 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: Development of a stir bar sorptive extraction and thermal desorption-gas chromatography-mass spectrometry method for determining synthetic musks in water samples.

Journal: Journal of chromatography. A20110107

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: Stir-bar-sorptive extraction and liquid desorption combined with large-volume injection gas chromatography-mass spectrometry for ultra-trace analysis of musk compounds in environmental water matrices.

Journal: Analytical and bioanalytical chemistry20100301

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: Biological transformation, kinetics and dose-response assessments of bound musk ketone hemoglobin adducts in rainbow trout as biomarkers of environmental exposure.

Journal: Journal of environmental sciences (China)20080101

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

Journal: Chemosphere20071101

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

Journal: Marine environmental research20040101

Title: Inhibition of larval development of the marine copepod Acartia tonsa by four synthetic musk substances.

Journal: The Science of the total environment20030415

Title: Effects of four synthetic musks on the life cycle of the harpacticoid copepod Nitocra spinipes.

Journal: Aquatic toxicology (Amsterdam, Netherlands)20030410

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: Nitromusk compounds in women with gynecological and endocrine dysfunction.

Journal: Environmental research20011201

Title: Musk ketone enhances benzo(a)pyrene induced mutagenicity in human derived Hep G2 cells.

Journal: Mutation research20010822

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

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