2-Methyl-2-cyclohexen-1-one - CAS 1121-18-2
Catalog: |
BB002877 |
Product Name: |
2-Methyl-2-cyclohexen-1-one |
CAS: |
1121-18-2 |
Synonyms: |
2-methylcyclohex-2-en-1-one |
IUPAC Name: | 2-methylcyclohex-2-en-1-one |
Description: | 2-Methyl-2-cyclohexen-1-one (CAS# 1121-18-2) is a useful research chemical. |
Molecular Weight: | 110.15 |
Molecular Formula: | C7H10O |
Canonical SMILES: | CC1=CCCCC1=O |
InChI: | InChI=1S/C7H10O/c1-6-4-2-3-5-7(6)8/h4H,2-3,5H2,1H3 |
InChI Key: | LKTNAAYQZJAXCJ-UHFFFAOYSA-N |
Boiling Point: | 180.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 0.964 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.68570 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111203277-A | Application of chiral bidentate phosphite ligand, Conia-Ene reaction catalyst and method for constructing chiral quaternary carbon center | 20200227 |
KR-20210092502-A | Photocatalysts comprising dinucleotides and uses thereof | 20200116 |
WO-2021122997-A1 | Compounds for providing a long-lasting floral and fruity odor | 20191219 |
WO-2021034080-A1 | Composition for prevention or treatment of allergic disease or atopic dermatitis comprising carvone or salt thereof as active ingredient | 20190819 |
WO-2020117942-A1 | Choline metabolism inhibitors | 20181204 |
PMID | Publication Date | Title | Journal |
20873743 | 20101105 | Studies toward the total syntheses of cucurbitacins B and D | The Journal of organic chemistry |
12968338 | 20030821 | Investigation of the asymmetric ionic Diels-Alder reaction for the synthesis of cis-decalins | Organic & biomolecular chemistry |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 110.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.073164938 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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