Benzylideneacetone - CAS 1896-62-4
Catalog: |
BB014652 |
Product Name: |
Benzylideneacetone |
CAS: |
1896-62-4 |
Synonyms: |
Benzalacetone; 4-Phenylbut-3-en-2-one |
IUPAC Name: | (E)-4-phenylbut-3-en-2-one |
Description: | Benzylideneacetone acts as an inhibitor of the enzyme phospholipase A2 (PLA2). |
Molecular Weight: | 146.19 |
Molecular Formula: | C10H10O |
Canonical SMILES: | CC(=O)C=CC1=CC=CC=C1 |
InChI: | InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+ |
InChI Key: | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
Boiling Point: | 260-262 °C |
Melting Point: | 41.5 °C |
Purity: | 99+ % |
Density: | 1.014 g/cm3 |
Solubility: | 1345 mg/L at 25 °C (est) |
Appearance: | White to yellow solid |
MDL: | MFCD00008779 |
LogP: | 2.28880 |
Vapor Pressure: | 0.009 [mmHg] |
GHS Hazard Statement: | H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113463146-A | Electroplating solution and electroplating process for surface of metal tool | 20210810 |
CN-113416010-A | Raw material grinding aid for cement clinker firing process | 20210731 |
CN-113457736-A | Application of chitosan/cellulose composite microsphere immobilized copper in catalyzing silicon addition reaction of alpha, beta-unsaturated carbonyl compound | 20210630 |
CN-113354206-A | Electroplating degreasing water oil removing equipment and technological process | 20210617 |
CN-113304129-A | Application of mono-ketene monocarbonyl curcumin analogue in preparing antioxidant drugs | 20210616 |
PMID | Publication Date | Title | Journal |
25278230 | 20141101 | Design, synthesis and exploring the quantitative structure-activity relationship of some antioxidant flavonoid analogues | Bioorganic & medicinal chemistry letters |
22992694 | 20121104 | Selective switchable iron-catalyzed hydrosilylation of carboxylic acids | Chemical communications (Cambridge, England) |
22885048 | 20120921 | Gas chromatography with flame ionization detection for determination of additives in an electrolytic Zn bath | Journal of chromatography. A |
22899515 | 20120801 | Gas phase retro-Michael reaction resulting from dissociative protonation: fragmentation of protonated warfarin in mass spectrometry | Journal of mass spectrometry : JMS |
22692228 | 20120501 | Toxicology and carcinogenesis studies of methyl trans-styryl ketone (CAS NO 1896-62-4) in F344/N rats and B6C3F1 mice (feed and dermal studies) | National Toxicology Program technical report series |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 146.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.073164938 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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