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13179-98-1,MFCD00142569
Catalog No.:AA000ZO0

13179-98-1 | Hexane, 1,6-dimethoxy-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$62.00   $44.00
- +
5g
>97.0%(GC)
in stock  
$75.00   $52.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000ZO0
Chemical Name:
Hexane, 1,6-dimethoxy-
CAS Number:
13179-98-1
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
MDL Number:
MFCD00142569
SMILES:
COCCCCCCOC
Properties
Properties
 
BP:
168.8°C at 760 mmHg  
Form:
Liquid  

Computed Properties
 
Complexity:
47.2  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Downstream Synthesis Route

[1]MULLER;BAUER;RUNDEL[ZeitschriftfurNaturforschung.TeilB:Chemie,Biochemie,Biophysik,Biologie,1959,vol.14B,#3,p.209-210]

[1]BeilsteinJournalofOrganicChemistry,2010,vol.6

[2]JournaloftheAmericanChemicalSociety,1946,vol.68,p.1542

[1]Lieser;Beck[ChemischeBerichte,1950,vol.83,p.137,139]

[1]Hamaide[BulletindelaSocieteChimiquedeFrance,1958,p.306,308]

[1]Dionneau[AnnalesdeChimie(Cachan,France),1915,vol.<9>3,p.201,220][BulletindelaSocieteChimiquedeFrance,1910,vol.<4>7,p.329]

Literature

Title: Proteomic investigation of 1,6-dimethoxyhexane testicular toxicity.

Journal: Environmental toxicology and pharmacology 20070901

Title: Testicular toxicity of candidate fuel additive 1,6-dimethoxyhexane: comparison with several similar aliphatic ethers.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20060101

Title: Short-term oral toxicity of butyl ether, ethyl hexyl ether, methyl heptyl ether and 1,6-dimethoxyhexane in male rats and the role of 2-methoxyacetic acid.

Journal: Toxicology 20051015

Title: Short-term oral toxicity of pentyl ether, 1,4-diethoxybutane, and 1,6-dimethoxyhexane in male rats.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20040101

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SDS
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Tags:13179-98-1 Molecular Formula|13179-98-1 MDL|13179-98-1 SMILES|13179-98-1 Hexane, 1,6-dimethoxy-
Catalog No.: AA000ZO0
13179-98-1,MFCD00142569
13179-98-1 | Hexane, 1,6-dimethoxy-
Pack Size： 1g
Purity： 97%
in stock
$62.00 $44.00
Pack Size： 5g
Purity： >97.0%(GC)
in stock
$75.00 $52.00
Quantity
- +
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Technical Information
Catalog Number: AA000ZO0
Chemical Name: Hexane, 1,6-dimethoxy-
CAS Number: 13179-98-1
Molecular Formula: C8H18O2
Molecular Weight: 146.2273
MDL Number: MFCD00142569
SMILES: COCCCCCCOC
Properties
BP: 168.8°C at 760 mmHg  
Form: Liquid  
Complexity: 47.2  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Downstream Synthesis Route
908094-01-9    629-11-8    13179-98-1 

[1]MULLER;BAUER;RUNDEL[ZeitschriftfurNaturforschung.TeilB:Chemie,Biochemie,Biophysik,Biologie,1959,vol.14B,#3,p.209-210]

67-56-1    629-03-8    50592-87-5    13179-98-1 

[1]BeilsteinJournalofOrganicChemistry,2010,vol.6

[2]JournaloftheAmericanChemicalSociety,1946,vol.68,p.1542

67-56-1    4054-69-7    13179-98-1 

[1]Lieser;Beck[ChemischeBerichte,1950,vol.83,p.137,139]

629-03-8    124-41-4    13179-98-1 

[1]Hamaide[BulletindelaSocieteChimiquedeFrance,1958,p.306,308]

61542-10-7    13179-98-1 

[1]Dionneau[AnnalesdeChimie(Cachan,France),1915,vol.<9>3,p.201,220][BulletindelaSocieteChimiquedeFrance,1910,vol.<4>7,p.329]

Literature fold

Title: Proteomic investigation of 1,6-dimethoxyhexane testicular toxicity.

Journal: Environmental toxicology and pharmacology20070901

Title: Testicular toxicity of candidate fuel additive 1,6-dimethoxyhexane: comparison with several similar aliphatic ethers.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20060101

Title: Short-term oral toxicity of butyl ether, ethyl hexyl ether, methyl heptyl ether and 1,6-dimethoxyhexane in male rats and the role of 2-methoxyacetic acid.

Journal: Toxicology20051015

Title: Short-term oral toxicity of pentyl ether, 1,4-diethoxybutane, and 1,6-dimethoxyhexane in male rats.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20040101

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