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Category:pharmaceuticals / chemical synthisis
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.16200 @ 25.00 °C.
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| Melting Point: | -44.50 °C. @ 760.00 mm Hg
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| Boiling Point: | 119.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 15.517000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 82.00 °F. TCC ( 27.78 °C. )
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| logP (o/w): | -0.282 (est) |
| Soluble in: |
| | water, 9.00E+04 mg/L @ 20 °C (exp) | | | water, 1.182e+005 mg/L @ 25 °C (est) |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
intraperitoneal-mouse LD50 92 mg/kg
BEHAVIORAL: TREMOR
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 695, 1987.
oral-mouse LD50 127 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
BEHAVIORAL: ATAXIA
American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986.
intraperitoneal-rat LD50 80 mg/kg
BEHAVIORAL: TREMOR
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 33, Pg. 695, 1987.
oral-rat LD50 100 mg/kg
BEHAVIORAL: ATAXIA
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986.
|
| Dermal Toxicity: |
skin-guinea pig LD50 100 uL/kg
Kodak Company Reports. Vol. 21MAY1971
skin-rabbit LD50 141 mg/kg
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: ATAXIA
American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986.
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| Inhalation Toxicity: |
inhalation-human LCLo 605 ppm/10M
National Technical Information Service. Vol. PB214-270
inhalation-rat LC50 262 ppm/1H
BEHAVIORAL: ATAXIA
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
SKIN AND APPENDAGES (SKIN): HAIR: OTHER
American Industrial Hygiene Association Journal. Vol. 47, Pg. 375, 1986.
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Safety in Use Information:
| Category: | | pharmaceuticals / chemical synthisis |
| Recommendation for chloroacetone usage levels up to: | | | not for fragrance use.
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| |
| Recommendation for chloroacetone flavor usage levels up to: |
| | not for flavor use.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | chloracetone | | 1- | chloro-2-ketopropane | | 1- | chloro-2-oxopropane | | 1- | chloro-2-propanone | | 3- | chloro-2-propanone | | 1- | chloroacetone | | 1- | chloropropan-2-one | | 1- | chloropropanone | | | MCA | | | methyl chloromethyl ketone | | 2- | propanone, 1-chloro- | | | tonite |
Articles:
| PubMed:Synthesis and antimicrobial evaluation of amide derivatives of benzodifuran-2-carboxylic acid. |
| PubMed:Products and mechanism of the reactions of OH radicals and Cl atoms with methyl methacrylate (CH2═C(CH3)C(O)OCH3) in the presence of NOx. |
| PubMed:Investigations of chemical warfare agents and toxic industrial compounds with proton-transfer-reaction mass spectrometry for a real-time threat monitoring scenario. |
| PubMed:Multi-component one-pot synthesis and antimicrobial activities of 3-methyl-1,4-diphenyl-7-thioxo-4,6,8,9-tetrahydro-pyrazolo[5,4-b]pyrimidino[5,4-e]pyridine-5-one and related derivatives. |
| PubMed:The identification of chlorinated acetones in analyses of aged triacetone triperoxide (TATP). |
| PubMed:A convenient ultrasound-promoted synthesis of some new thiazole derivatives bearing a coumarin nucleus and their cytotoxic activity. |
| PubMed:Highly enantioselective proline-catalysed direct aldol reaction of chloroacetone and aromatic aldehydes. |
| PubMed:Insights into mechanistic photodissociation of chloroacetone from a combination of electronic structure calculation and molecular dynamics simulation. |
| PubMed:Analyzing velocity map images to distinguish the primary methyl photofragments from those produced upon C-Cl bond photofission in chloroacetone at 193 nm. |
| PubMed:Sulfuric, hydrochloric, and nitric acid-catalyzed triacetone triperoxide (TATP) reaction mixtures: an aging study. |
| PubMed:Sorption studies of chromium(VI) onto new ion exchanger with tertiary amine, quaternary ammonium and ketone groups. |
| PubMed:Chloroacetone photodissociation at 193 nm and the subsequent dynamics of the CH3C(O)CH2 radical--an intermediate formed in the OH + allene reaction en route to CH3 + ketene. |
| PubMed:Synthesis, reactions and biological evaluation of some new naphtho[2,1-b]furan derivatives bearing a pyrazole nucleus. |
| PubMed:Synthesis and biological evaluation of some nitrogen containing steroidal heterocycles. |
| PubMed:Kinetics and mechanism of the reaction of methacrolein with chlorine atoms in 1-950 Torr of N2 or N2/O2 diluent at 297 K. |
| PubMed:Preparation and properties of novel double-chain nonionic surfactants with acid decomposition function. |
| PubMed:Cu(II)-catalyzed THM formation during water chlorination and monochloramination: a comparison study. |
| PubMed:Synthesis and molluscicidal activity of some new thiophene, thiadiazole and pyrazole derivatives. |
| PubMed:Synthesis, anti-inflammatory, analgesic and antioxidant activities of some tetrasubstituted thiophenes. |
| PubMed:A concise synthesis of (+/-)-cacalol. |
| PubMed:One-pot solvent free synthesis and DNA binding studies of thieno[2,3-b]-1,8-naphthyridines. |
| PubMed:Theoretical dynamic studies on the reactions of CH3C(O)CH3-nCl(n) (n = 0-3) with the chlorine atom. |
| PubMed:A theoretical study of Favorskii reaction stereochemistry. Lessons in torquoselectivity. |
| PubMed:On the photolysis of simple anions and neutral molecules as sources of O-/OH, SO(x)- and Cl in aqueous solution. |
| PubMed:A fluorescence-based screening assay for DNA damage induced by genotoxic industrial chemicals. |
| PubMed:Preferential attack of the (S)-configured ether-linked carbons in bis-(1-chloro-2-propyl) ether by Rhodococcus sp. strain DTB. |
| PubMed:Effect of oxygen on the dehalogenation of 1,2-Dibromo-3-chloropropane by cytochrome P450cam (CYP101). |
| PubMed:13C NMR, infrared, solvation and theoretical investigation of the conformational isomerism in 1-haloacetones (X = Cl, Br and I). |
| PubMed:Phosphoenolpyruvate- and ATP-dependent dihydroxyacetone kinases: covalent substrate-binding and kinetic mechanism. |
| PubMed:Pharmaco-economical analysis of the treatment with antibiotics in a surgery department. |
| PubMed:Synthesis of some new pyrimidine and fused pyrimidine derivatives (Part 2). |
| PubMed:Synthesis of some new pyrimidine and fused pyrimidine derivatives (Part I). |
| PubMed:Biodegradation of bis(1-chloro-2-propyl) ether via initial ether scission and subsequent dehalogenation by Rhodococcus sp. strain DTB. |
| PubMed:Lack of antifertility properties of novel halogenated glycolytic inhibitors and the urinary excretion and metabolism of 1,6-dichloro-1,6-dideoxy-D-fructofuranose in the male rat. |
| PubMed:Samarium Ion-Promoted Cross-Aldol Reactions and Tandem Aldol/Evans-Tishchenko Reactions. |
| PubMed:Characterization and Synthesis of a 6-Substituted Benzo[b]thiophene. |
| PubMed:Susceptibility of glycolytic enzyme activity and motility of spermatozoa from rat, mouse, and human to inhibition by proven and putative chlorinated antifertility compounds in vitro. |
| PubMed:Fluorine-containing heterocycles: synthesis and some reactions of new 3-amino-2-functionalized-6-(2'-thienyl)-4-trifluoromethylthieno [2,3-b]pyridines. |
| PubMed:Structure of hydroxynitrile lyase from Manihot esculenta in complex with substrates acetone and chloroacetone: implications for the mechanism of cyanogenesis. |
| PubMed:A new three-carbon synthon for efficient synthesis of benzannelated and 1-(2-arylethenyl) heterocycles |
| PubMed:Regulated workplace ketones and their interference in the PFBHA method for aldehydes. |
| PubMed:In vitro inhibition of rat cauda epididymal sperm glycolytic enzymes by ornidazole, alpha-chlorohydrin and 1-chloro-3-hydroxypropanone. |
| PubMed:Metabolism of the putative antifertility agents 3-(36)chloro-1-hydroxypropanone and its dimethyl ketal in the male rat. |
| PubMed:Nitrile biotransformations using free and immobilized cells of a thermophilic Bacillus spp. |
| PubMed:Potential antitumor alpha-methylene-gamma-butyrolactone-bearing nucleic acid base. 3. Synthesis of 5'-methyl-5'-[(6-substituted-9H-purin-9-yl)methyl]-2'-oxo-3'- methylenetetrahydrofurans. |
| PubMed:Chloromethyl ketones are insulin-like stimulators of lipid synthesis in locust fat body. |
| PubMed:Endogenous energy production by mature boar spermatozoa. |
| PubMed:Triosephosphate metabolism by mature boar spermatozoa. |
| PubMed:Metabolism of glycerol 3-phosphate by mature boar spermatozoa. |
| PubMed:[Reactions of 1-(X-benzoyl)-4-R-thiosemicarbazide with chloroacetone and omega-bromoacetophenone. VI. 4-(o-tolyl)-thiosemicarbazide of o-nitro - and p-nitrobenzoic acid]. |
| PubMed:[Reactions of 1-(X-benzoyl)-4-R-thiosemicarbazide with chloroacetone and omega-bromoacetophenone. V. 4-(o-tolyl)-thiosemicarbazide of of o-chloro- and p-chlorobenzoic acid]. |
| PubMed:[Reactions of 1-(X-benzoyl)-4R-thiosemicarbazide with chloroacetone and omega-bromoacetophenone. IV. 4-phenyl and 4-(p-tolyl)-thiosemicarbazide of o-chlorobenzoic acid]. |
| PubMed:Characterization of a new pathway for epichlorohydrin degradation by whole cells of xanthobacter strain py2. |
| PubMed:Conjugation of carcinogens by theta class glutathione s-transferases: mechanisms and relevance to variations in human risk. |
| PubMed:Oxidation of low molecular weight chloroalkanes by cytochrome P450CAM. |
| PubMed:Purification and characterization of haloalcohol dehalogenase from Arthrobacter sp. strain AD2. |
| PubMed:Metabolic activation of 1,2-dibromo-3-chloropropane to mutagenic metabolites: detection and mechanism of formation of (Z)- and (E)-2-chloro-3-(bromomethyl)oxirane. |
| PubMed:[Reactions of 1-(X-benzoyl)-4-R-thiosemicarbazide with chloroacetone and omega-bromoacetophenone. III. 4-Phenyl- and 4-(p-tolyl)- thiosemicarbazide of 0-nitrobenzoic acid]. |
| PubMed:[Reactions of 1-(X-benzoyl)-4-R-thiosemicarbazide with chloroacetone and omega-bromoacetophenone. II. 4-Phenyl- and 4-(p-tolyl)-thiosemicarbazide of p-nitrobenzoic acid]. |
| PubMed:[Reactions of 1-(X-benzoyl)-4-R-thiosemicarbazide with chloroacetone and omega-bromoacetophenone. I. 4-Phenyl- and 4-(p-tolyl)-thiosemicarbazide of p=chlorobenzoic acid]. |
| PubMed:Synthesis and characterization of new 2-(arylidenehydrazino)-4-methyl-5-(arylazo)thiazoles. |
| PubMed:Metabolites of [3-13C]1,2-dibromo-3-chloropropane in male rats studied by 13C and 1H-13C correlated two-dimensional NMR spectroscopy. |
| PubMed:Inhibitory effects of (S)-3-chlorolactaldehyde on the metabolic activity of boar spermatozoa in vitro. |
| PubMed:[Reaction of 1-acyl-4(o-tolyl)-thiosemicarbazide with alpha-halogenketones. I. Cyclization with chloroacetone]. |
| PubMed:[Reaction of 1-acyl-4-(p-tolyl)-thiosemicarbazide with alpha-halogenketones. III. (1,2) chyclization with omega-bromacetophenone]. |
| PubMed:[Reaction of 1-acyl-4-(p-tolyl)-thiosemicarbazide with alpha-halogenketones. II. (1) Cyclization with chloracetone]. |
| PubMed:Chemical reactivity, cytotoxicity, and mutagenicity of chloropropanones. |
| PubMed:Mechanism of inhibition of fructolysis in ram spermatozoa by chlorinated antifertility agents. |
| PubMed:Hazard evaluation of monochloroacetone. |
| PubMed:Inhibition of fructolytic enzymes in boar spermatozoa by (S)-alpha-chlorohydrin and 1-chloro-3-hydroxypropanone. |
| PubMed:Isolation and spectral characteristics of four toxins from the dinoflagellate Ptychodiscus brevis. |
| PubMed:Fluorometric assay using high-pressure liquid chromatography for the microsomal metabolism of certain substituted aliphatics to 1,N6-ethenoadenine-forming metabolites. |
| PubMed:Mechanism of chloroform formation by chlorine and its inhibition by chlorine dioxide. |
| PubMed:Dose-response relationships for mutations induced in E. coli by some model compounds. With an addendum: Reaction kinetics in water of chloroethylene oxide, chloroacetaldehyde, and chloroacetone. |
| PubMed:Mutagenicity of chloroacetones in the Salmonella test. |
| PubMed:Chloroacetones: mutagenic constituents of bleached kraft chlorination effluent. |
| PubMed:Chloroacetone as an active-site-directed inhibitor of the aliphatic amidase from Pseudomonas aeruginosa. |
| PubMed:Esters of chlorohydroxyacetone in chemotherapy of murine tumors. |
| PubMed:[The condensation of acetic acid 4-phenyl-thiosemicarbazide with chloroacetone and omega-bromoacetophenone (author's transl)]. |
| PubMed:Antiproteolytic aldehydes and ketones: substituent and secondary deuterium isotope effects on equilibrium addition of water and other nucleophiles. |
| PubMed:New fluorescent cytidine 5'-phosphate derivatives. |
| PubMed:1-Halo analogs of dihydroxyacetone 3-phosphate. The effects of the fluoro analog on cytosolic glycerol-3-phosphate dehydrogenase and triosephosphate isomerase. |
| PubMed:[The condensation of picoline acid 4-R-thiosemicarbazides with a-halogenketones. I. Reaction with chloroacetone (author's transl)]. |
| PubMed:[The condensation of nicotinic acid 4-R-thiosemicarbazides with alpha-halogenketones. I. Reaction with chloroacetone (author's transl)]. |
| PubMed:[Condensation of 4-R-thiosemicarbazones of pyridine aldehydes with alpha-halogenketones. 3. Condensation of picolinaldehyde 4-R-thiosemicarbazone with chloroacetone and omega-chloroacetophenone]. |
| PubMed:[Condensation of 4-R-thiosemicarbazones of pyridine aldehydes with an alpha-halogenketones. II. Condensation of isonicotinaldehyde 4-R-thiosemicarbazone with chloroacetone and omega-chloroacetophenone]. |
| PubMed:Evidence for histidine in the active site of papain. |
| PubMed:FAILURE OF MONO-CHLOROACETONE TO INFLUENCE 3,4-BENZPYRENE MOUSE SKIN TUMORIGENESIS. |
| PubMed:The condensation of chloroacetone with formaldehyde. |
| PubMed:Studies in the thiazole series; the reaction between thiourea and s-dichloroacetone. |
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3D/inchi