2-Methylcyclohexanone - ≥98% , CAS No.583-60-8

CAS: 583-60-8 Cat. No.: M100791 Molecular Weight: 112.17 Beilstein Registry Number: 506751 EC Number: 209-513-6
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
EN300-20182 | F0001-1522 | Q20968563 | AKOS016352943 | FS-4895 | Sexton B | 2-methylcyclohexane-1-one | 2-Methyl-1-cyclohexanone | 2-Metilcicloesanone | J-510048 | 2-METHYLCYCLOHEXANONE [FHFI] | FEMA NO. 3946 | Methylanon | NSC524 | NSC-524 | 2-Methylcycl
Storage
Room temperature
Shipped In
FedEx DG Service
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5ml
M100791-5ml
10
$13.90
25ml
M100791-25ml
2
$52.90
100ml
M100791-100ml
2
$179.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

2-Methylcyclohexanone is a cyclic ketone that is reported to occur in mint[1] and horse chestnut.

Specifications

Synonyms
EN300-20182 | F0001-1522 | Q20968563 | AKOS016352943 | FS-4895 | Sexton B | 2-methylcyclohexane-1-one | 2-Methyl-1-cyclohexanone | 2-Metilcicloesanone | J-510048 | 2-METHYLCYCLOHEXANONE [FHFI] | FEMA NO. 3946 | Methylanon | NSC524 | NSC-524 | 2-Methylcycl
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Pubchem Sid488181334
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181334
Canonical SmilesCC1CCCCC1=O
IUPAC Name2-methylcyclohexan-1-one
InChIKeyLFSAPCRASZRSKS-UHFFFAOYSA-N
INCHI1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
Isomeric SMILES CC1CCCCC1=O
WGK Germany 1
RTECS GW1750000
UN Number 2297
Packing Group III
Molecular Weight 112.17
Beilstein 506751
Reaxy-Rn 506751
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506751&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentCyclic ketones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CA2 Tclin Carbonic anhydrase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA6 Tclin Carbonic anhydrase VI (993 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

12 results found

Lot NumberCertificate TypeDateItem
G2525391Certificate of AnalysisJul 16, 2025 M100791
G2525392Certificate of AnalysisJul 16, 2025 M100791
G2525405Certificate of AnalysisJul 16, 2025 M100791
I2529514Certificate of AnalysisJun 26, 2024 M100791
D2501440Certificate of AnalysisJun 26, 2024 M100791
J2326472Certificate of AnalysisOct 17, 2023 M100791
J2326473Certificate of AnalysisOct 17, 2023 M100791
K2427187Certificate of AnalysisOct 17, 2023 M100791
B2328448Certificate of AnalysisFeb 20, 2023 M100791
B2328459Certificate of AnalysisFeb 20, 2023 M100791
B2328593Certificate of AnalysisFeb 20, 2023 M100791
D2318190Certificate of AnalysisFeb 20, 2023 M100791

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Chemical and Physical Properties
SolubilityInsoluble in water. Soluble in methanol and diethyl ether.
Refractive Index1.448
Flash Point(°F)118.4℉
Flash Point(°C)48°C
Boil Point(°C)162-163°C
Melt Point(°C)-14°C
Molecular Weight112.170 g/mol
XLogP31.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass112.089 Da
Monoisotopic Mass112.089 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count8
Formal Charge0
Complexity96.600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Hong Jiang, Hang Zhu, Zhenchen Tang, Jiuxuan Zhang, Zhengyan Qu, Weihong Xing, Rizhi Chen.  (2024)  Experimental and Kinetic Model for Enhanced Liquid-Phase Hydrogenation of o-Cresol in a Distributor-Type Multichannel Ceramic Membrane Reactor.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c02947]
Solution Calculators
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