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1-methoxy-3-methylbutane

CAT: 1266-JH393773Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH393773Size:1 Each
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CAS Number
626-91-5
UN Code
UN 1993
Hazard Statement
Xn
Stability
Stable. Incompatible with bases, reducing agents, oxidizing agents.
Molecular Formula
C6H14O
Molecular Weight
102.17
Product Name Synonym
Butane, 1-methoxy-3-methyl-
Physical Properties
Colorless liquid
Hazardous Class
3
Safety Statements
S16-S36
Density
0.76g/cm3
Flash Point
71.4oC
RIDADR
UN 1993
Melting Point
-71oC

Chemical Information

Butane, 1-methoxy-3-methyl-
CAS Number626-91-5
PubChem CID136445
IUPAC Name1-methoxy-3-methylbutane
Molecular FormulaC6H14O
Molecular Weight102.17
XLogP1.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity33
SMILES
CC(C)CCOC
InChI
InChI=1S/C6H14O/c1-6(2)4-5-7-3/h6H,4-5H2,1-3H3
InChIKey
ZQAYBCWERYRAMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butane, 1-methoxy-3-methyl-
CAS: 626-91-5
CID: 136445
Formula: C6H14O
MW: 102.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.17
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass102.104465066
Monoisotopic Mass102.104465066
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity33.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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