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Isobutyl Ethyl Ether

CAT: 0572-TRC-I627050-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I627050-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
627-02-1
Synonyms
Isobutyl Ethyl Ether; Propane, 1-ethoxy-2-methyl-; Ether, ethyl isobutyl (6CI,7CI,8CI); 1-Ethoxy-2-methylpropane; Ethyl iso-butyl ether; Ethyl isobutyl ether; Isobutyl ethyl ether
Hazard Statement
Highly flammable liquid and vapour; UN number: UN3271; Packing Group: II
Purity
>95% (GC)
Smiles
CCOCC(C)C
Molecular Formula
C6 H14 O
Molecular Weight
102.175
InChI
InChI=1S/C6H14O/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3
Additionnal Information
IUPAC name: 1-ethoxy-2-methylpropane
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

1-Ethoxy-2-methylpropane
CAS Number627-02-1
PubChem CID69386
IUPAC Name1-ethoxy-2-methylpropane
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
CCOCC(C)C
InChI
InChI=1S/C6H14O/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey
RQUBQBFVDOLUKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ethoxy-2-methylpropane
CAS: 627-02-1
CID: 69386
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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Alternative Products

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sc-487477Benzoin Isobutyl Ether
sc-489742Isobutyl Vinyl Ether
OR1004116-01Glycidyl isobutyl ether
B03320-01Benzoin isobutyl ether 90%
CS-O-43348Trazodone Isobutyl Ether Analog
V02120-01Vinyl isobutyl ether 98%
N02760-01B-Naphthyl Isobutyl Ether
OR1048671-01EThyl Isobutyl Carbonate
AAA62356Ethyl isobutyl ketone
UDA49196-01Ethyl isobutyl phthalate

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