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Home Other Building Blocks 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-

5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-

CAS No.:
126-86-3
Catalog Number:
AG000QOL
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
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United States
$7
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Product Description
Catalog Number:
AG000QOL
Chemical Name:
5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-
CAS Number:
126-86-3
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
MDL Number:
MFCD00008942
IUPAC Name:
2,4,7,9-tetramethyldec-5-yne-4,7-diol
InChI:
InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
InChI Key:
LXOFYPKXCSULTL-UHFFFAOYSA-N
SMILES:
CC(CC(C#CC(CC(C)C)(O)C)(O)C)C
EC Number:
204-809-1
NSC Number:
5630
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.193g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.36g/mol
Monoisotopic Mass:
226.193g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Ambient ionization-accurate mass spectrometry (AMI-AMS) for the identification of nonvisible set-off in food-contact materials. Journal of agricultural and food chemistry 20120227
Occurrence and fate of TMDD in wastewater treatment plants in Germany. Water research 20111015
Occurrence and temporal variations of TMDD in the river Rhine, Germany. Environmental science and pollution research international 20100201
The anthropogenic contribution to the organic load of the Lippe River (Germany). Part I: Qualitative characterisation of low-molecular weight organic compounds. Chemosphere 20041201
Properties