2-Methyl-1,3-cyclohexanedione - CAS 1193-55-1
Catalog: |
BB004480 |
Product Name: |
2-Methyl-1,3-cyclohexanedione |
CAS: |
1193-55-1 |
Synonyms: |
2-methylcyclohexane-1,3-dione |
IUPAC Name: | 2-methylcyclohexane-1,3-dione |
Description: | 2-Methyl-1,3-cyclohexanedione (CAS# 1193-55-1) is a useful research chemical. |
Molecular Weight: | 126.15 |
Molecular Formula: | C7H10O2 |
Canonical SMILES: | CC1C(=O)CCCC1=O |
InChI: | InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3 |
InChI Key: | VSGJHHIAMHUZKF-UHFFFAOYSA-N |
Boiling Point: | 235.7 °C at 760 mmHg |
Melting Point: | 206-208 °C |
Purity: | 95 % |
Density: | 1.056 g/cm3 |
Appearance: | White to salmon powder |
Storage: | 0-6 °C |
MDL: | MFCD00001587 |
LogP: | 0.94460 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111533655-A | Preparation method of long-carbon-chain keto dicarboxylic ester | 20200531 |
WO-2021205324-A1 | Curable compositions and methods of using the same | 20200408 |
WO-2021200826-A1 | Compound | 20200403 |
CN-111253246-A | Acyl acid derivative and preparation method and medical application thereof | 20200316 |
WO-2021148426-A1 | Analogues of mycosporine-like amino acid and use thereof as sunscreens | 20200122 |
PMID | Publication Date | Title | Journal |
15828829 | 20050421 | Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases | Journal of medicinal chemistry |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.068079557 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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