D187208
2,5-Dimethyltetrahydrofuran, mixture of cis and trans
96%
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About This Item
Empirical Formula (Hill Notation):
C6H12O
CAS Number:
Molecular Weight:
100.16
Beilstein:
102563
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
96%
form
liquid
refractive index
n20/D 1.404 (lit.)
bp
90-92 °C (lit.)
density
0.833 g/mL at 25 °C (lit.)
SMILES string
CC1CCC(C)O1
InChI
1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3
InChI key
OXMIDRBAFOEOQT-UHFFFAOYSA-N
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Related Categories
Signal Word
Warning
Hazard Statements
Hazard Classifications
Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
80.6 °F - closed cup
Flash Point(C)
27 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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The enthalpies of formation, entropies, specific heats at constant pressure, enthalpy functions, and all carbon-hydrogen and carbon-methyl bond dissociation energies have been computed using high-level methods for the cyclic ethers (oxolanes) tetrahydrofuran, 2-methyltetrahydrofuran, and 2,5-dimethyltetrahydrofuran. Barrier heights for hydrogen-abstraction reactions
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Thiyl radicals (RS) formed by the reaction of radiolytically generated OH radicals with thiols, e.g. 1,4-dithiothreitol (DTT), react with cis- and trans-2,5-dimethyltetrahydrofuran by abstracting an H atom in the alpha-position to the ether function (k approximately equal to 5 X
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