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2-Hexanone

CAT: 1410-M20883-01Size: 1 EachDry Ice: NoHazardous: No
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Description
2-Oxohexane is an ethereal tasting compound. Outside of the human body 2-Oxohexane is found on average in the highest concentration within hyssops and milk (cow) .
CAS Number
591-78-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
100.16
Molecular Formula
C6H12O
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

2-Hexanone

Methyl-n-Butyl Ketone can cause developmental toxicity and male reproductive toxicity according to an independent committee of scientific and health experts.

CAS Number591-78-6
PubChem CID11583
IUPAC Namehexan-2-one
Molecular FormulaC6H12O
Molecular Weight100.16
XLogP1.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity57
SMILES
CCCCC(=O)C
InChI
InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
InChIKey
QQZOPKMRPOGIEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hexanone
CAS: 591-78-6
CID: 11583
Formula: C6H12O
MW: 100.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.16
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass100.088815002
Monoisotopic Mass100.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity57.2
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

CatalogName
FH139049-012-Hexanone
S-22002-Hexanone - 1ML
FC37425-016-Chloro-2-hexanone
TRC-M311905-50ML5-Methyl-2-hexanone
sc-4877293-Methyl-2-hexanone
sc-4835453-Hydroxy-2-hexanone
0047946-Bromo-2-hexanone
OR928462-012-Methyl-3-hexanone
sc-3618302-Hexanone, 5-hydroxy
sc-2752062,2-Dimethyl-3-hexanone

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