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Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | white crystalline solid (est) |
| Assay: | 97.00 to 100.00 %
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| Food Chemicals Codex Listed: | No |
| Melting Point: | 56.00 to 58.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 261.00 to 262.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.011000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 206.00 °F. TCC ( 96.67 °C. )
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| logP (o/w): | 2.520 (est) |
| Soluble in: |
| | alcohol | | | water, 383 mg/L @ 25 °C (exp) |
| Insoluble in: |
| | water |
Organoleptic Properties:
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| Odor Type: balsamic |
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| Odor Strength: | medium , recommend smelling in a 1.00 % solution or less |
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| Substantivity: | 44 hour(s) at 100.00 % |
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| | hawthorn balsamic woody dry opoponax vanilla |
Odor Description: at 100.00 %. | acetophenone balsam woody dry opoponax vanilla Luebke, William tgsc, (1984) |
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| Odor and/or flavor descriptions from others (if found). |
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Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | None - None found. |
S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes.
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
oral-rat LD > 500 mg/kg National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 28, 1953.
unreported-rat LDLo 600 mg/kg Biochemical Pharmacology. Vol. 14, Pg. 1325, 1965.
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | acetoacetophenone | | 2- | acetyl acetophenone | | alpha- | acetyl acetophenone | | | acetyl benzoyl methane | | 2- | acetylacetophenone | | a- | acetylacetophenone | | 1- | benzoyl-2-propanone | | | benzoylacetone | | 1- | benzoylacetone | | 1,3- | butanedione, 1-phenyl- | | 1- | phenyl butane-1,3-dione | | 1- | phenyl-1,3-butane dione | | 1- | phenyl-1,3-butanedione | | 1- | phenyl-butane-1,3-dione | | 1- | phenylbutane-1,3-dione | | 2- | propanone, benzoyl- |
Articles:
| PubMed: | Car-Parrinello and path integral molecular dynamics study of the intramolecular hydrogen bonds in the crystals of benzoylacetone and dideuterobenzoylacetone. |
| PubMed: | Tautomeric and conformational properties of benzoylacetone, CH3-C(O)-CH2-C(O)-C6H5: gas-phase electron diffraction and quantum chemical study. |
| PubMed: | Absorption spectroscopic study of synergistic extraction of praseodymium with benzoyl acetone in presence of crown ether. |
| PubMed: | Monitoring ultrafast intramolecular proton transfer processes in an unsymmetric β-diketone. |
| PubMed: | The low-barrier hydrogen bond of deuterated benzoylacetone probed by very low temperature neutron and X-ray diffraction studies and theoretical calculations. |
| PubMed: | X-ray and neutron diffraction study of benzoylacetone in the temperature range 8-300 K: comparison with other cis-enol molecules. |
| PubMed: | The sensitive determination of nucleic acids using fluorescence enhancement of Eu3+-benzoylacetone-cetyltrimethylammonium bromide-nucleic acid system. |
| PubMed: | Potential anticonvulsants IV: Condensation of isatin with benzoylacetone and isopropyl methyl ketone. |
| PubMed: | Metal chelates of azo-pyridazine dyes Chelating tendencies of benzoylacetone-monohydrazone-3-hydrazino-4-benzyl-6-phenylpyridazine (bahp). |
| PubMed: | Solution and solid state structure and tautomerism of azo coupled enaminone derivatives of benzoylacetone. |
| PubMed: | 1,5-Dimethyl-4-(1-methyl-3-oxo-3-phenylprop-1-enyl-amino)-2-phenyl-1H-pyrazol-3(2H)-one. |
| PubMed: | Friedel-Crafts Coupling of Electron-Deficient Benzoylacetones Tuned by Remote Electronic Effects. |
| PubMed: | Photoresist-free fully self-patterned transparent amorphous oxide thin-film transistors obtained by sol-gel process. |
| PubMed: | Mono- and binuclear copper(II) complexes of new hydrazone ligands derived from 4,6-diacetylresorcinol: Synthesis, spectral studies and antimicrobial activity. |
| PubMed: | Synthesis of Pyrroloquinones via a CAN Mediated Oxidative Free Radical Reaction of 1,3-Dicarbonyl Compounds with Aminoquinones. |
| PubMed: | Synthesis, spectral characterization, and antiproliferative studies of mixed ligand titanium complexes of adamantylamine. |
| PubMed: | Highly selective synergism for the extraction of lanthanoid(III) ions with β-diketones and trioctylphosphine oxide in an ionic liquid. |
| PubMed: | Conformational analysis, intramolecular hydrogen bonding, and vibrational assignment of 4,4-dimethyl-1-phenylpentane-1,3-dione. |
| PubMed: | Low-temperature metal-oxide thin-film transistors formed by directly photopatternable and combustible solution synthesis. |
| PubMed: | Phosphomolybdic and phosphotungstic acids as efficient catalysts for the synthesis of bridged 1,2,4,5-tetraoxanes from β-diketones and hydrogen peroxide. |
| PubMed: | Spectroscopic investigations of nano-sized titanium(IV) complexes containing electron-rich oxygen-based ligands. |
| PubMed: | New tetradentate Schiff bases of 2,2-dimethyl-1,3-diaminopropane and acetylacetone derivatives and their vanadyl complexes. |
| PubMed: | Synthesis and spectral characterization of ternary mixed-vanadyl β-diketonate complexes with Schiff bases. |
| PubMed: | Portable formaldehyde monitoring device using porous glass sensor and its applications in indoor air quality studies. |
| PubMed: | Volatile oil composition of Pogostemon heyneanus and comparison of its composition with patchouli oil. |
| PubMed: | Gold(III) N-heterocyclic carbene complexes mediated synthesis of β-enaminones from 1,3-dicarbonyl compounds and aliphatic amines. |
| PubMed: | Dithiocarbazate complexes with the [M(PPh3)]2+ (M = Pd or Pt) moiety: synthesis, characterization and anti-Trypanosoma cruzi activity. |
| PubMed: | Inhibition by diacylmethane derivatives of mutagenicity in Salmonella typhimurium and tRNA-binding of chemical carcinogens. |
| PubMed: | [Synthesis and luminescence properties of europium (III) complexes]. |
| PubMed: | Four new dinuclear Cu(ii) hydrazone complexes using various organic spacers: syntheses, crystal structures, DNA binding and cleavage studies and selective cell inhibitory effect towards leukemic and normal lymphocytes. |
| PubMed: | Vibrational assignment and structure of dibenzoylmethane. A density functional theoretical study. |
| PubMed: | On the electronic nature of low-barrier hydrogen bonds in enzymatic reactions. |
| PubMed: | Inhibition by diacylmethane derivatives of mutagenicity and nucleic acid binding of 2-aminofluorene derivatives. |
| PubMed: | Vibrational assignment and structure of trifluorobenzoylacetone. A density functional theoretical study. |
| PubMed: | Spectral and thermal studies of some chromium and molybdenum complexes with ONO donor Schiff bases. |
| PubMed: | Individual and simultaneous spectrophotometric determination of dapsone and metoclopramide HCl in pharmaceutical dosage forms and synthetic binary mixtures. |
| PubMed: | Single-drop microextraction combined with low-temperature electrothermal vaporization ICPMS for the determination of trace Be, Co, Pd, and Cd in biological samples. |
| PubMed: | Synthesis of some novel pyrazolo[3,4-b]pyridine and pyrazolo[3,4-d]pyrimidine derivatives bearing 5,6-diphenyl-1,2,4-triazine moiety as potential antimicrobial agents. |
| PubMed: | Synthesis and molluscicidal activity of some new thiophene, thiadiazole and pyrazole derivatives. |
| PubMed: | Functional characterization of an orphan cupin protein from Burkholderia xenovorans reveals a mononuclear nonheme Fe2+-dependent oxygenase that cleaves beta-diketones. |
| PubMed: | Synthesis and structural characterization of nonanuclear lanthanide complexes. |
| PubMed: | Synthesis and structural characterization of a novel dinuclear complex compound formed by the aerial oxidation of cobalt(II) having an interligand C-C sigma-bond. |
| PubMed: | Comparison of copper speciation in coastal marine waters measured using analytical voltammetry and diffusion gradient in thin-film techniques. |
| PubMed: | Synthesis of novel heterocycles through reaction of indolin-2-one derivatives with active methylene and amino reagents. |
| PubMed: | Improved luminescence properties of europium complexes encapsulated into mesoporous SBA-15. |
| PubMed: | Diffraction gratings of photosensitive ZrO2 gel films fabricated with the two-ultraviolet-beam interference method. |
| PubMed: | Intramolecular hydrogen bonding (proton transfer) of 1-phenyl-1,3-butanedione. |
| PubMed: | Intramolecular rearrangement for regioselective complexation by intramolecular CH/pi interaction in a hydrophobic cavity of a ruthenium coordination sphere. |
| PubMed: | The charge density distribution in a model compound of the catalytic triad in serine proteases. |
| PubMed: | Strong copper-binding behavior of terrestrial humic substances in seawater. |
| PubMed: | Synthesis and evaluation of technetium-99m monocationic mixed ligand complexes of phenyl substituted/condensed tetradentate Schiff's bases and trimethylphosphine. |
| PubMed: | Antiviral compounds. 1. Structure-activity relationship of some antiviral enediones derived from aldehydo sugars. |
| PubMed: | Synthesis and pharmacological activity of some 2,3-dihydrofuran-2,3-dione derivatives. |
| PubMed: | Synthesis and pharmacological studies of 2'-sulphonyl[3-(3H-2,4-disubstituted-1,5-benzodiazepino)]-2,5-dimethyl-6,7-benzomorphans. |
| PubMed: | Tautomerization equilibria in aqueous micellar solutions: a spectrophotometric and factor-analytical study. |
| PubMed: | Evaluation of the cytotoxic and pro-apoptotic activities of Eu(III) complexes with appended DNA intercalators in a panel of human malignant cell lines. |
| PubMed: | Synthesis and anxiolytic activity of 1-phenyl-2-(4-aryl-1,3,4,5-tetrahydropyrido[2,3-b][1 ,4]diazepin-2-ylidene)-ethanone. |
| PubMed: | Transfer rate of several tris(beta-diketonato)iron(III) complexes at the bulk aqueous--Triton X-100 micellar interface: effects of substituent groups in the extractants. |
| PubMed: | End-to-end single cyanato and thiocyanato bridged Cu(II) polymers with a new tridentate Schiff base ligand: crystal structure and magnetic properties. |
| PubMed: | Effect of ligand radicals on vibrational IR, Raman and vibronic spectra of europium beta-diketonates. |
| PubMed: | Synthesis, characterization, EXAFS investigation and antibacterial activities of new ruthenium(III) complexes containing tetradentate Schiff base. |
| PubMed: | Preparation of beta-keto esters and beta-diketones by C-acylation/deacetylation of acetoacetic esters and acetonyl ketones with 1-acylbenzotriazoles. |
| PubMed: | Theoretical study of the symmetry of the (OH...O)- hydrogen bonds in vinyl alcohol-vinyl alcoholate systems. |
| PubMed: | Reactions of Dimethyl Sulfite with Diorganotin Oxides. One-Pot Synthesis of Methoxydiorganotin Methanesulfonates through the Arbuzov Rearrangement, Spectroscopic Characterization of These Compounds and Their Derivatives, and X-ray Crystal Structures of n-Bu(2)Sn(X)OS(O)(2)Me (X = acac, bzbz, OH). |
| PubMed: | Synthesis and structural assignment of certain pyrimido[1,2-alpha] benzimidazole derivatives. |
| PubMed: | Determination of the salting coefficients of benzoyltrifluoroacetone. |
| PubMed: | Stability constants of lanthanide complexes with salicylhydroxamic acid. |
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