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3-Methylcyclohexanone

CAT: 1459-CS-O-06306Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-06306Size:1 Each
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Description
3-Methylcyclohexanone is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-O-06306. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
3-Methylcyclohexanone is used as a fragrant and flavouring agent.
CAS Number
591-24-2
Synonyms
3-Methylcyclohexanone
Molecular Formula
C 7 H 12 O
Molecular Weight
112.17
Additionnal Information
3-Methylcyclohexanone is supplied with detailed characterization data compliant with regulatory guideline. 3-Methylcyclohexanone can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
3-Methylcyclohexanone is used as a fragrant and flavouring agent.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

3-Methylcyclohexanone

3-methylcyclohexanone is a member of cyclohexanones.

CAS Number591-24-2
PubChem CID11567
IUPAC Name3-methylcyclohexan-1-one
Molecular FormulaC7H12O
Molecular Weight112.17
XLogP1.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity96
SMILES
CC1CCCC(=O)C1
InChI
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey
UJBOOUHRTQVGRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylcyclohexanone
CAS: 591-24-2
CID: 11567
Formula: C7H12O
MW: 112.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.17
XLogP31.4
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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