2,2,6,6-Tetramethyl-3,5-heptanedione - CAS 1118-71-4
Catalog: |
BB002825 |
Product Name: |
2,2,6,6-Tetramethyl-3,5-heptanedione |
CAS: |
1118-71-4 |
Synonyms: |
2,2,6,6-tetramethylheptane-3,5-dione |
IUPAC Name: | 2,2,6,6-tetramethylheptane-3,5-dione |
Description: | 2,2,6,6-Tetramethyl-3,5-heptanedione (CAS# 1118-71-4) is a beta diketone with antibacterial activity. |
Molecular Weight: | 184.28 |
Molecular Formula: | C11H20O2 |
Canonical SMILES: | CC(C)(C)C(=O)CC(=O)C(C)(C)C |
InChI: | InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3 |
InChI Key: | YRAJNWYBUCUFBD-UHFFFAOYSA-N |
Boiling Point: | 72-73 ℃ (6 torr) |
Purity: | > 97.0 % (GC) |
Density: | 0.88 g/cm3 |
Appearance: | Clear colourless to slightly yellow liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00008848 |
LogP: | 2.60690 |
GHS Hazard Statement: | H302 (93.02%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021123372-A1 | Novel compounds and their use | 20191219 |
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WO-2021106652-A1 | Compound, thin film-forming material, and method for producing thin film | 20191127 |
PMID | Publication Date | Title | Journal |
26795242 | 20160401 | SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study | Toxicology in vitro : an international journal published in association with BIBRA |
22218742 | 20120227 | Influence of precursors chemistry on ALD growth of cobalt-molybdenum oxide films | Dalton transactions (Cambridge, England : 2003) |
22097553 | 20110901 | Relevance of thermodynamic and kinetic parameters of chemical vapor deposition precursors | Journal of nanoscience and nanotechnology |
22097558 | 20110901 | BiFeO3 films doped in the A or B sites: effects on the structural and morphological properties | Journal of nanoscience and nanotechnology |
21351750 | 20110404 | Spin structure of surface-supported single-molecule magnets from isomorphous replacement and X-ray magnetic circular dichroism | Inorganic chemistry |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.146329876 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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