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2,5-Dimethyltetrahydrofuran

CAS No.:
1003-38-9
Catalog Number:
AG0001IO
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$100
- +
25g
95%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG0001IO
Chemical Name:
2,5-Dimethyltetrahydrofuran
CAS Number:
1003-38-9
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD00005369
IUPAC Name:
2,5-dimethyloxolane
InChI:
InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3
InChI Key:
OXMIDRBAFOEOQT-UHFFFAOYSA-N
SMILES:
CC1CCC(O1)C
EC Number:
213-707-6
NSC Number:
12594
Properties
Complexity:
53.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Mechanistic study of a one-step catalytic conversion of fructose to 2,5-dimethyltetrahydrofuran. Chemistry (Weinheim an der Bergstrasse, Germany) 20120924
Kinetics and thermochemistry of 2,5-dimethyltetrahydrofuran and related oxolanes: next next-generation biofuels. The journal of physical chemistry. A 20120510
One-step catalytic transformation of carbohydrates and cellulosic biomass to 2,5-dimethyltetrahydrofuran for liquid fuels. ChemSusChem 20100525
Reactivity of niobium and tantalum pentahalides with cyclic ethers and the isolation and characterization of intermediates in the polymerization of tetrahydrofuran. Inorganic chemistry 20080107
The mechanism of epoxide carbonylation by [Lewis Acid]+[Co(CO)4]- catalysts. Journal of the American Chemical Society 20060809
Independent generation and study of 5,6-Dihydro-2'-deoxyuridin-6-yl, a member of the major family of reactive intermediates formed in DNA from the effects of gamma-radiolysis. The Journal of organic chemistry 20030530
Amine-chelated aryllithium reagents--structure and dynamics. Journal of the American Chemical Society 20010822
Properties