2-Methylcyclohexanone - CAS 583-60-8
Catalog: |
BB075928 |
Product Name: |
2-Methylcyclohexanone |
CAS: |
583-60-8 |
Synonyms: |
(±)-2-Methylcyclohexanone; 2-Methyl-1-cyclohexanone; 2-Methylcyclohexane-1-one; NSC 524; α-Methylcyclohexanone |
IUPAC Name: | 2-methylcyclohexan-1-one |
Description: | 2-Methylcyclohexanone, is used as a fragrant and flavoring agent. It can also be used for the preparation of a novel pladienolide analog scaffold. |
Molecular Weight: | 112.17 |
Molecular Formula: | C7H12O |
Canonical SMILES: | CC1CCCCC1=O |
InChI: | InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3 |
InChI Key: | LFSAPCRASZRSKS-UHFFFAOYSA-N |
Boiling Point: | 329 °F at 760 mmHg |
Melting Point: | -6.8 °F |
Flash Point: | 118 °F |
Density: | 0.93 |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Clear Colourless Oil |
Storage: | Refrigerator |
References: | Gundluru, M., et al. MedChemComm, 2, 904 (2011); Beckman Sundh, U., et al. EFSA J., 10 (2012). |
Refractive Index: | 1.444-1.450 |
GHS Hazard Statement: | H226: Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Complexity: | 96.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.088815002 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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