EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

chloroacetone
1-chloro-2-propanone

Supplier Sponsors

Name:1-chloropropan-2-one
CAS Number: 78-95-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-161-1
FDA UNII: 60ZTR74268
Nikkaji Web:J1.487G
Beilstein Number:605369
MDL:MFCD00000936
XlogP3-AA:0.60 (est)
Molecular Weight:92.52405000
Formula:C3 H5 Cl O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
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EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.16200 @ 25.00 °C.
Melting Point: -44.50 °C. @ 760.00 mm Hg
Boiling Point: 119.00 °C. @ 760.00 mm Hg
Vapor Pressure:15.517000 mmHg @ 25.00 °C. (est)
Flash Point: 82.00 °F. TCC ( 27.78 °C. )
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:
None found
 
Suppliers:
Penta International
CHLOROACETONE
Sigma-Aldrich: Aldrich
For experimental / research use only.
Chloroacetone 95%
 
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
 
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.

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.

 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for chloroacetone usage levels up to:
 not for fragrance use.
 
Recommendation for chloroacetone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):78-95-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6571
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-chloropropan-2-one
Chemidplus:0000078955
EPA/NOAA CAMEO:hazardous materials
RTECS:78-95-5
 
References:
 1-chloropropan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:78-95-5
Pubchem (cid):6571
Pubchem (sid):134971090
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.70.5000
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
5% caco3 added as a stabilizer. may contain ca. 5% 1,1-dichloroacetone andor mesityl oxide.
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
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.
 
Notes:
None found
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