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Celestolide

CAS No.:
13171-00-1
Catalog Number:
AG000ZMC
Molecular Formula:
C17H24O
Molecular Weight:
244.3719
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG000ZMC
Chemical Name:
Celestolide
CAS Number:
13171-00-1
Molecular Formula:
C17H24O
Molecular Weight:
244.3719
MDL Number:
MFCD00046324
IUPAC Name:
1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone
InChI:
InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3
InChI Key:
IKTHMQYJOWTSJO-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
EC Number:
236-114-4
UNII:
E1HM68Q21P
FEMA Number:
3653
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.183g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.378g/mol
Monoisotopic Mass:
244.183g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
Determination of synthetic musk compounds in indoor house dust by gas chromatography-ion trap mass spectrometry. Analytical and bioanalytical chemistry 20120801
Occurrence of synthetic musk fragrances in effluent and non-effluent impacted environments. The Science of the total environment 20120201
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). The Science of the total environment 20120201
Levels and distribution of synthetic musks and polycyclic aromatic hydrocarbons in sludge collected from Guangdong Province. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20120101
High-sensitivity analysis of six synthetic musks by ultra-performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry. Analytical chemistry 20110615
Occurrence of polycyclic musks in wastewater and receiving water bodies and fate during wastewater treatment. Chemosphere 20110201
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. Aquatic toxicology (Amsterdam, Netherlands) 20110117
Occurrence of synthetic musk fragrances in human blood from 11 cities in China. Environmental toxicology and chemistry 20100901
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. Analytical and bioanalytical chemistry 20100301
The interference of nitro- and polycyclic musks with endogenous and xenobiotic metabolizing enzymes in carp: an in vitro study. Environmental science & technology 20091215
Preliminary study on the occurrence and distribution of polycyclic musks in a wastewater treatment plant in Guandong, China. Chemosphere 20071001
The concentrations and distribution of polycyclic musks in a typical cosmetic plant. Chemosphere 20070101
Hormonal activity of polycyclic musks evaluated by reporter gene assay. Environmental sciences : an international journal of environmental physiology and toxicology 20070101
Fatal attraction: synthetic musk fragrances compromise multixenobiotic defense systems in mussels. Marine environmental research 20040101
Inhibition of larval development of the marine copepod Acartia tonsa by four synthetic musk substances. The Science of the total environment 20030415
Effects of four synthetic musks on the life cycle of the harpacticoid copepod Nitocra spinipes. Aquatic toxicology (Amsterdam, Netherlands) 20030410
Properties