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Methylcyclohexanone - 98%, high purity , CAS No.1331-22-2

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 1331-22-2
Molecular Weight: 112.17
EC Number: 215-556-1
MDL number: MFCD00167116
PubChem CID: 11525
PubChem SID: 504752152

In stock

Item Number

M113653

Grouped product items
SKU	Size	Availability	Price
M113653-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
M113653-25ml	25ml	2	$56.90
M113653-100ml	100ml	1	$139.90

Basic Description

Synonyms	4-METHYLCYCLOHEXANONE \| 589-92-4 \| 4-methylcyclohexan-1-one \| Cyclohexanone, 4-methyl- \| 4-Methyl-1-cyclohexanone \| METHYLCYCLOHEXANONE \| Tetrahydro-p-cresol \| Metylocykloheksanon \| Methyl-4 cyclohexanone-1 \| p-Methyl cyclohexanone \| methycyclohexanone \| 1331-22-2 \| 4-methylcycl
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504752152
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752152
IUPAC Name	4-methylcyclohexan-1-one
INCHI	InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChIKey	VGVHNLRUAMRIEW-UHFFFAOYSA-N
Smiles	CC1CCC(=O)CC1
Isomeric SMILES	CC1CCC(=O)CC1
WGK Germany	2
RTECS	GW1575000
UN Number	2297
Packing Group	III
Molecular Weight	112.17
Reaxy-Rn	506746
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506746&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
G2115319	Certificate of Analysis	Apr 03, 2025	M113653
C2404428	Certificate of Analysis	Feb 23, 2024	M113653
C2404434	Certificate of Analysis	Feb 23, 2024	M113653
C2404432	Certificate of Analysis	Feb 23, 2024	M113653
C2404500	Certificate of Analysis	Feb 23, 2024	M113653

Chemical and Physical Properties

Refractive Index	1.446
Flash Point(°F)	48 °C
Flash Point(°C)	48°C
Boil Point(°C)	167-169°C
Molecular Weight	112.170 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	112.089 Da
Monoisotopic Mass	112.089 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.600
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

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