2,2-Dimethyl-3,5-hexanedione - CAS 7307-04-2
Catalog: |
BB034754 |
Product Name: |
2,2-Dimethyl-3,5-hexanedione |
CAS: |
7307-04-2 |
Synonyms: |
5,5-dimethylhexane-2,4-dione |
IUPAC Name: | 5,5-dimethylhexane-2,4-dione |
Description: | 2,2-Dimethyl-3,5-hexanedione (CAS# 7307-04-2) is a useful reactant for the synthesis RhIII and IrIII half sandwich compounds which had good antimicrobial properties against Mycobacterium smegmatis. |
Molecular Weight: | 142.20 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | CC(=O)CC(=O)C(C)(C)C |
InChI: | InChI=1S/C8H14O2/c1-6(9)5-7(10)8(2,3)4/h5H2,1-4H3 |
InChI Key: | LCLCVVVHIPPHCG-UHFFFAOYSA-N |
Boiling Point: | 165 ℃ |
Density: | 0.9412 g/cm3 |
LogP: | 1.58070 |
GHS Hazard Statement: | H226 (97.67%): 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 |
JP-6866957-B1 | Adhesive for skin application, cured product and adhesive tape for skin application | 20201027 |
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WO-2021132558-A1 | Two-part curable urethane adhesive, cured product of two-part curable urethane adhesive, and urethane adhesive sheet | 20191226 |
WO-2021080419-A1 | Aphid hyperparasitoid attractant | 20191021 |
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Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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