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4-Methyl-2-pentanone

CAT: 0572-TRC-M328025-250GSize: 250 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M328025-250GSize:250 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108-10-1
Synonyms
2-Pentanone, 4-methyl-; 4-Methyl-2-pentanone; 2-Methyl-4-pentanone; 2-Methylpropyl methyl ketone; 4-Methyl-2-oxopentane; Hexone; Isobutyl methyl ketone; Isopropylacetone; MIBK; MIK; Methyl 2-methylpropyl ketone; Methyl iso-butyl ketone; Methyl isobutyl ketone; NSC 5712; ZMD-D
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1245; Packing Group: II
Purity
>95% (GC)
Smiles
CC(C)CC(=O)C
Molecular Formula
C6 H12 O
Molecular Weight
100.16
InChI
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
Additionnal Information
IUPAC name: 4-methylpentan-2-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl Isobutyl Ketone

Methyl Isobutyl Ketone (MIBK) can cause cancer according to California Labor Code. It can cause developmental toxicity according to The Environmental Protection Agency (EPA).

CAS Number108-10-1
PubChem CID7909
IUPAC Name4-methylpentan-2-one
Molecular FormulaC6H12O
Molecular Weight100.16
XLogP1.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity64
SMILES
CC(C)CC(=O)C
InChI
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChIKey
NTIZESTWPVYFNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl Isobutyl Ketone
CAS: 108-10-1
CID: 7909
Formula: C6H12O
MW: 100.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.16
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass100.088815002
Monoisotopic Mass100.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity64.6
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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