5,5-Dimethyl-1,3-cyclohexanedione - CAS 126-81-8
Catalog: |
BB006671 |
Product Name: |
5,5-Dimethyl-1,3-cyclohexanedione |
CAS: |
126-81-8 |
Synonyms: |
5,5-dimethylcyclohexane-1,3-dione |
IUPAC Name: | 5,5-dimethylcyclohexane-1,3-dione |
Description: | A mentha compound showing antimicrobial properties against common bacteria in the food industry such as E.coli and P.aeruginosa as well as strains of yeast. |
Molecular Weight: | 140.18 |
Molecular Formula: | C8H12O2 |
Canonical SMILES: | CC1(CC(=O)CC(=O)C1)C |
InChI: | InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3 |
InChI Key: | BADXJIPKFRBFOT-UHFFFAOYSA-N |
Boiling Point: | 233.7 °C at 760 mmHg |
Melting Point: | 147-150 °C |
Purity: | 98 % |
Density: | 1.016 g/cm3 |
Appearance: | Solid |
Storage: | 2-8 °C |
MDL: | MFCD00001588 |
LogP: | 1.33470 |
Vapor Pressure: | 0.06 [mmHg] |
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 |
AU-2021103204-A4 | A Gas-Electricity Interconnection System Of A Reversible Fuel Cell Based Upon Compound Gas Conditions | 20210608 |
CN-113121460-A | Polycyclic fused 1, 5-benzodiazepine compound and preparation method thereof | 20210518 |
KR-102276735-B1 | Ultraviolet absorbent for light fastness enhancer, Manufacturing method thereof and Light fastness enhancer containing the same | 20210512 |
CN-112958151-A | Mesoporous poly-L-proline catalyst for catalytic synthesis of spiroindolone compounds and preparation method and application thereof | 20210226 |
CN-113150006-A | Pyran compound and synthetic method thereof | 20210202 |
PMID | Publication Date | Title | Journal |
32876438 | 20201019 | Potential Doxorubicin-Mediated Dual-Targeting Chemotherapy in FANC/BRCA-Deficient Tumors via Modulation of Cellular Formaldehyde Concentration | Chemical research in toxicology |
31288001 | 20190901 | Caution for the routine use of phenol red - It is more than just a pH indicator | Chemico-biological interactions |
25807370 | 20150518 | Reactive Sulfur Species-Mediated Activation of the Keap1-Nrf2 Pathway by 1,2-Naphthoquinone through Sulfenic Acids Formation under Oxidative Stress | Chemical research in toxicology |
22955183 | 20121018 | New highly soluble dimedone-derived iodonium ylides: preparation, X-ray structure, and reaction with carbodiimide leading to oxazole derivatives | Chemical communications (Cambridge, England) |
22398382 | 20120901 | Ultrasound assisted synthesis of tetrahydrobenzo[c]xanthene-11-ones using CAN as catalyst | Ultrasonics sonochemistry |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.083729621 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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