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13171-00-1,MFCD00046324
Catalog No.:AA000ZJK

13171-00-1 | Celestolide

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1g
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in stock  
$13.00   $9.00
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5g
98%
in stock  
$32.00   $22.00
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25g
98%
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$112.00   $78.00
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100g
98%
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$307.00   $215.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000ZJK
Chemical Name:
Celestolide
CAS Number:
13171-00-1
Molecular Formula:
C17H24O
Molecular Weight:
244.3719
MDL Number:
MFCD00046324
SMILES:
CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
FEMA Number:
3653
Properties
Properties
 
BP:
309.1°C at 760 mmHg  
Form:
Solid  
MP:
68-70 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
334  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
5  

Downstream Synthesis Route

[1]Ferrero;Helg[HelveticaChimicaActa,1959,vol.42,p.2111,2117]

[2]Beetsetal.[RecueildesTravauxChimiquesdesPays-Bas,1958,vol.77,p.854,862][RecueildesTravauxChimiquesdesPays-Bas,1959,vol.78,p.570,577]

[3]Eisenbraun,E.J.etal.[JournalofOrganicChemistry,1977,vol.42,p.1967-1972]Eisenbraun,EdmundJ.;Harms,WeldonM.;Palaniswamy,VenkatapuramA.;Chen,HoffmanH.;Porcaro,PeterJ.;etal.[JournalofOrganicChemistry,1982,vol.47,#2,p.342-346]

[1]Farmer,LucJ.;Marron,KristenS.;CananKoch,StacieS.;Hwang;Kallel,E.Adam;Zhi,Lin;Nadzan,AlexM.;Robertson,DaveW.;Bennani,YoussefL.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#9,p.2352-2356]

[2]Ferrero;Helg[HelveticaChimicaActa,1959,vol.42,p.2111,2117]Beetsetal.[RecueildesTravauxChimiquesdesPays-Bas,1958,vol.77,p.854,862][RecueildesTravauxChimiquesdesPays-Bas,1959,vol.78,p.570,577]

[3]CurrentPatentAssignee:INTERNATIONALFLAVORS&FRAGRANCESINC-US4162256,1979,A

[1]Farmer,LucJ.;Marron,KristenS.;CananKoch,StacieS.;Hwang;Kallel,E.Adam;Zhi,Lin;Nadzan,AlexM.;Robertson,DaveW.;Bennani,YoussefL.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#9,p.2352-2356]

[2]Wang,Mei-Ling;Xu,Hui;Li,Han-Yuan;Ma,Biao;Wang,Zhen-Yu;Wang,Xing;Dai,Hui-Xiong[OrganicLetters,2021,vol.23,#6,p.2147-2152]

[3]Wang,Zhen-Yu;Ma,Biao;Xu,Hui;Wang,Xing;Zhang,Xu;Dai,Hui-Xiong[OrganicLetters,2021,vol.23,#21,p.8291-8295]

[1]Hyodo,Kengo;Hasegawa,Genna;Maki,Hiroya;Uchida,Kingo[OrganicLetters,2019,vol.21,#8,p.2818-2822]

[2]Farmer,LucJ.;Marron,KristenS.;CananKoch,StacieS.;Hwang;Kallel,E.Adam;Zhi,Lin;Nadzan,AlexM.;Robertson,DaveW.;Bennani,YoussefL.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#9,p.2352-2356]

[1]Hyodo,Kengo;Hasegawa,Genna;Oishi,Naoki;Kuroda,Kazuma;Uchida,Kingo[JournalofOrganicChemistry,2018,vol.83,#21,p.13080-13087]

[2]Farmer,LucJ.;Marron,KristenS.;CananKoch,StacieS.;Hwang;Kallel,E.Adam;Zhi,Lin;Nadzan,AlexM.;Robertson,DaveW.;Bennani,YoussefL.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#9,p.2352-2356]

Literature

Title: Determination of synthetic musk compounds in indoor house dust by gas chromatography-ion trap mass spectrometry.

Journal: Analytical and bioanalytical chemistry 20120801

Title: Occurrence of synthetic musk fragrances in effluent and non-effluent impacted environments.

Journal: The Science of the total environment 20120201

Title: First evidences of the occurrence of polycyclic synthetic musk fragrances in surface water systems in Italy: spatial and temporal trends in the Molgora River (Lombardia Region, Northern Italy).

Journal: The Science of the total environment 20120201

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

Journal: Analytical chemistry 20110615

Title: Occurrence of polycyclic musks in wastewater and receiving water bodies and fate during wastewater treatment.

Journal: Chemosphere 20110201

Title: Characterization of the multixenobiotic resistance (MXR) mechanism in embryos and larvae of the zebra mussel (Dreissena polymorpha) and studies on its role in tolerance to single and mixture combinations of toxicants.

Journal: Aquatic toxicology (Amsterdam, Netherlands) 20110117

Title: Occurrence of synthetic musk fragrances in human blood from 11 cities in China.

Journal: Environmental toxicology and chemistry 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: 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: Preliminary study on the occurrence and distribution of polycyclic musks in a wastewater treatment plant in Guandong, China.

Journal: Chemosphere 20071001

Title: The concentrations and distribution of polycyclic musks in a typical cosmetic plant.

Journal: Chemosphere 20070101

Title: Hormonal activity of polycyclic musks evaluated by reporter gene assay.

Journal: Environmental sciences : an international journal of environmental physiology and toxicology 20070101

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

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Tags:13171-00-1 Molecular Formula|13171-00-1 MDL|13171-00-1 SMILES|13171-00-1 Celestolide