Dicyclohexyl ketone - CAS 119-60-8
Catalog: |
BB004537 |
Product Name: |
Dicyclohexyl ketone |
CAS: |
119-60-8 |
Synonyms: |
Methanone, dicyclohexyl-; Cyclohexane ketone; NSC-49725; NSC-60007; NSC 49725; Dodecahydrobenzophenone |
IUPAC Name: | dicyclohexylmethanone |
Description: | Dicyclohexyl ketone is a vulcanization accelerator. |
Molecular Weight: | 194.31 |
Molecular Formula: | C13H22O |
Canonical SMILES: | C1CCC(CC1)C(=O)C2CCCCC2 |
InChI: | InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2 |
InChI Key: | TWXWPPKDQOWNSX-UHFFFAOYSA-N |
Boiling Point: | 159°C at 20 Torr |
Melting Point: | 57°C |
Purity: | 95% |
Density: | 0.986 g/mL at 25°C |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Colorless Oily Matter |
Storage: | Store at RT |
MDL: | MFCD00040417 |
LogP: | 3.71610 |
GHS Hazard Statement: | H202 (50%): Explosive; severe projection hazard [Danger Explosives] |
Precautionary Statement: | P210, P230, P240, P250, P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P370+P380, P372, P373, P401, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112898133-A | Preparation method of trans-ketone intermediate | 20210127 |
CN-112592276-A | PGMEA recovery method | 20201230 |
CN-112608235-A | PGMEA recovery method | 20201230 |
CN-112592277-A | Degradable resin monomer synthesized by dicyclohexyl ketone and preparation method thereof | 20201223 |
CN-112439410-A | Catalyst for synthesizing aromatic ketone and method for catalytically synthesizing aromatic ketone by using same | 20201203 |
PMID | Publication Date | Title | Journal |
23028504 | 20120101 | Cyclohexyl ketone inhibitors of Pin1 dock in a trans-diaxial cyclohexane conformation | PloS one |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.167065321 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.167065321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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