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2-Ethyl-2-hexenol (>85%)

CAT: 0572-TRC-E817893-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E817893-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50639-00-4
Synonyms
2-Ethyl-2-hexenol (>85%); 2-Ethyl-2-hexen-1-ol
Hazard Statement
Combustible liquid and vapour.
Smiles
CCC\C=C(\CC)/CO
Molecular Formula
C8 H16 O
Molecular Weight
128.21
InChI
InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h6,9H,3-5,7H2,1-2H3/b8-6-
Additionnal Information
IUPAC name: (Z)-2-ethylhex-2-en-1-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Ethylhex-2-enol
CAS Number50639-00-4
PubChem CID5362614
IUPAC Name(E)-2-ethylhex-2-en-1-ol
Molecular FormulaC8H16O
Molecular Weight128.21
XLogP2.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
CCC/C=C(\CC)/CO
InChI
InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h6,9H,3-5,7H2,1-2H3/b8-6+
InChIKey
JSRFYJBJQPGAAA-SOFGYWHQSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylhex-2-enol
CAS: 50639-00-4
CID: 5362614
Formula: C8H16O
MW: 128.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.21
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass128.120115130
Monoisotopic Mass128.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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