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2-Methylcyclohexanone 95%

CAT: 0286-M14970-01Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-M14970-01Size:100 g
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CAS Number
583-60-8
UN Code
UN2297
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00001635
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Methylcyclohexanone
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

2-Methylcyclohexanone

2-methylcyclohexanone is a member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2. It has a role as a flavouring agent and a plant metabolite.

CAS Number583-60-8
PubChem CID11419
IUPAC Name2-methylcyclohexan-1-one
Molecular FormulaC7H12O
Molecular Weight112.17
XLogP1.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity96
SMILES
CC1CCCCC1=O
InChI
InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
InChIKey
LFSAPCRASZRSKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylcyclohexanone
CAS: 583-60-8
CID: 11419
Formula: C7H12O
MW: 112.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.17
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass112.088815002
Monoisotopic Mass112.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity96.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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