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126-86-3,MFCD00008942
Catalog No.:AA000QLT

126-86-3 | 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
95%
in stock  
$8.00   $5.00
- +
500g
>95.0%(GC)
in stock  
$134.00   $94.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000QLT
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
SMILES:
CC(CC(C#CC(CC(C)C)(O)C)(O)C)C
NSC Number:
5630
Properties
Properties
 
BP:
255°C at 760 mmHg  
Form:
Solid  
MP:
42-44 °C  
Refractive Index:
1.4560 (estimate)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
2  
XLogP3:
2.7  

Upstream Synthesis Route

[1]Patent:CN107963960,2018,A,.Locationinpatent:Paragraph0058;0059

[1]Patent:US2163720,1937,,

[2]Patent:US2163720,1937,,

[1]Patent:US2163720,1937,,

[2]Patent:US2163720,1937,,

[1]RicercaScientifica,1956,vol.26,p.1525

Downstream Synthesis Route

[1]ZhurnalObshcheiKhimii,1957,vol.27,p.1793    Chem.Abstr.,1958

[1]RicercaScientifica,1956,vol.26,p.1525

[1]Patent:US2163720,1937,

[1]Patent:US2163720,1937,

[1]JournalofOrganicChemistry,1962,vol.27,p.2398-2402

Literature

Title: Ambient ionization-accurate mass spectrometry (AMI-AMS) for the identification of nonvisible set-off in food-contact materials.

Journal: Journal of agricultural and food chemistry 20120227

Title: Occurrence and fate of TMDD in wastewater treatment plants in Germany.

Journal: Water research 20111015

Title: Occurrence and temporal variations of TMDD in the river Rhine, Germany.

Journal: Environmental science and pollution research international 20100201

Title: The anthropogenic contribution to the organic load of the Lippe River (Germany). Part I: Qualitative characterisation of low-molecular weight organic compounds.

Journal: Chemosphere 20041201

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Tags:126-86-3 Molecular Formula|126-86-3 MDL|126-86-3 SMILES|126-86-3 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-