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2-Methyl-1,3-cyclohexanedione - >98.0%, high purity , CAS No.1193-55-1

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2-Methyl-1,3-cyclohexanedione - >98.0%, high purity , CAS No.1193-55-1

COA

Grade & Purity:

≥98%

Cas Number: 1193-55-1
Molecular Weight: 126.16
EC Number: 214-773-9
MDL number: MFCD00001587
PubChem CID: 70945
PubChem SID: 504754591

In stock

Item Number

M158810

Grouped product items
SKU	Size	Availability	Price
M158810-1g	1g	1	$9.90
M158810-5g	5g	1	$24.90
M158810-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$37.90
M158810-25g	25g	2	$72.90
M158810-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$224.90

View related series

Carbonyl compound (2335) ketone (798)

Basic Description

Synonyms	DS-14522 \| M1133 \| AMY18839 \| FT-0613033 \| 2-Methyl-cyclohexane-1,3-dione \| 2-Methylcyclohexane-1,3-dione \| SCHEMBL677600 \| DTXSID90152406 \| EN300-255642 \| 1,3-Cyclohexanedione, 2-methyl- \| 1-Methyl-2,6-cyclohexanedione \| EKB-785 \| NSC54460 \| NSC-54460 \|
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 1,3-dicarbonyl compounds
        Level6 Beta-diketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	1,3-dicarbonyl compounds
Direct Parent	Beta-diketones
Alternative Parents	Cyclic ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	1,3-diketone - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CES2 Tchem Carboxylesterase 2 (583 Activities)

Discover Target: CES2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504754591
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754591
IUPAC Name	2-methylcyclohexane-1,3-dione
INCHI	InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3
InChIKey	VSGJHHIAMHUZKF-UHFFFAOYSA-N
Smiles	CC1C(=O)CCCC1=O
Isomeric SMILES	CC1C(=O)CCCC1=O
WGK Germany	3
Molecular Weight	126.16
Reaxy-Rn	1281598
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281598&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.

9 results found

Lot Number	Certificate Type	Date	Item
F2415156	Certificate of Analysis	Mar 22, 2024	M158810
F2415167	Certificate of Analysis	Mar 22, 2024	M158810
K1919145	Certificate of Analysis	Sep 05, 2023	M158810
G2209185	Certificate of Analysis	May 31, 2022	M158810
G2209186	Certificate of Analysis	May 31, 2022	M158810
D2321304	Certificate of Analysis	May 31, 2022	M158810
G2209187	Certificate of Analysis	May 31, 2022	M158810
G2209188	Certificate of Analysis	May 31, 2022	M158810
B2217101	Certificate of Analysis	Feb 21, 2022	M158810

Chemical and Physical Properties

Solubility	Soluble in methanol ( 0.1 g/mL). Insoluble in water.
Sensitivity	Hygroscopic
Melt Point(°C)	206-208°C
Molecular Weight	126.150 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	126.068 Da
Monoisotopic Mass	126.068 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	133.000
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

Documents & Articles

Aldol Condensation Reaction

Categories: Technical articles

Tags:

Organic block Building Blocks Catalytic agent Inorganic catalyst Aldol condensation reaction

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