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Home Other Building Blocks 1,4-Dioxacycloheptadecane-5,17-dione

1,4-Dioxacycloheptadecane-5,17-dione

CAS No.:
105-95-3
Catalog Number:
AG00HAKC
Molecular Formula:
C15H26O4
Molecular Weight:
270.3645
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Product Description
Catalog Number:
AG00HAKC
Chemical Name:
1,4-Dioxacycloheptadecane-5,17-dione
CAS Number:
105-95-3
Molecular Formula:
C15H26O4
Molecular Weight:
270.3645
MDL Number:
MFCD00046977
IUPAC Name:
1,4-dioxacycloheptadecane-5,17-dione
InChI:
InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
InChI Key:
XRHCAGNSDHCHFJ-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCCC(=O)OCCO1
EC Number:
203-347-8
UNII:
9A87HC7ROD
NSC Number:
46155
FEMA Number:
3543
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.183g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.369g/mol
Monoisotopic Mass:
270.183g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Determination of synthetic musk compounds in indoor house dust by gas chromatography-ion trap mass spectrometry. Analytical and bioanalytical chemistry 20120801
Fragrance material review on ethylene brassylate. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20111201
A toxicological and dermatological assessment of macrocyclic lactone and lactide derivatives when used as fragrance ingredients. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20111201
The effects of Musk T on peroxisome proliferator-activated receptor [PPAR]-alpha activation, epidermal skin homeostasis and dermal hyaluronic acid synthesis. Archives of dermatological research 20061101
Estrogenic activity of musk fragrances detected by the E-screen assay using human mcf-7 cells. Archives of environmental contamination and toxicology 20021001
Macrocyclic musk compounds--an absence of genotoxicity in the Ames test and the in vivo Micronucleus assay. Toxicology letters 20020905
Properties