3-Methyl-2-cyclohexenone - CAS 1193-18-6
Catalog: |
BB004463 |
Product Name: |
3-Methyl-2-cyclohexenone |
CAS: |
1193-18-6 |
Synonyms: |
3-methylcyclohex-2-en-1-one |
IUPAC Name: | 3-methylcyclohex-2-en-1-one |
Description: | 3-Methyl-2-cyclohexenone (CAS# 1193-18-6) is a Dendroctonus pseudotsugae Hopkins antiaggregation pheromone. |
Molecular Weight: | 110.15 |
Molecular Formula: | C7H10O |
Canonical SMILES: | CC1=CC(=O)CCC1 |
InChI: | InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3 |
InChI Key: | IITQJMYAYSNIMI-UHFFFAOYSA-N |
Boiling Point: | 201.00 °C (EPI 4.0) |
Melting Point: | -21 °C |
Purity: | 98.0 % |
Density: | 0.971 g/cm3 |
Solubility: | Soluble in water; soluble in alcohol. |
Appearance: | Colorless to yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00001581 |
LogP: | 1.68570 |
Refractive Index: | 1.491 : 1.499 at 20 deg C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021152083-A | Pest control method | 20210702 |
JP-2021152084-A | Pest control method | 20210702 |
JP-2021152085-A | Pest control method | 20210702 |
JP-2021138753-A | Pest control method for harmful arthropods using heterocyclic compounds | 20210610 |
JP-2021102661-A | Pest control composition and control method | 20210416 |
PMID | Publication Date | Title | Journal |
22606815 | 20120401 | Predicting Dendroctonus pseudotsugae (Coleoptera: Curculionidae) antiaggregation pheromone concentrations using an instantaneous puff dispersion model | Journal of economic entomology |
20689711 | 20100101 | The Catalytic Function of Nonheme Iron (III) Complex for Hydrocarbon Oxidation | Bioinorganic chemistry and applications |
19133463 | 20081201 | High release rate 3-methylcyclohex-2-en-1-one dispensers prevent Douglas-fir beetle (Coleoptera: Curculionidae) infestation of live Douglas-fir | Journal of economic entomology |
17217308 | 20070118 | Stepwise acid-promoted double-Michael process: an alternative to Diels-Alder cycloadditions for hindered silyloxydiene-dienophile pairs | Organic letters |
16438537 | 20060203 | 3He NMR as a sensitive probe of fullerene reactivity: [2 + 2] photocycloaddition of 3-methyl-2-cyclohexenone to C70 | The Journal of organic 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: | 0.8 |
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