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

acetone oxime
N-hydroxy-2-propanimine

Supplier Sponsors

Name:N-propan-2-ylidenehydroxylamine
CAS Number: 127-06-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-820-1
FDA UNII: QX74TFD64T
Nikkaji Web:J2.515A
Beilstein Number:1560146
XlogP3:0.10 (est)
Molecular Weight:73.09499000
Formula:C3 H7 N O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 61.00 °C. @ 760.00 mm Hg
Boiling Point: 136.00 °C. @ 760.00 mm Hg
Boiling Point: 134.00 to 135.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:3.120000 mmHg @ 25.00 °C. (est)
Flash Point: 113.00 °F. TCC ( 45.20 °C. ) (est)
logP (o/w): 0.120
Soluble in:
 water, 1.06e+005 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Acetoxime technical
Fuzhou Farwell
Acetone Oxime (Dimethyl Ketonxime)
Glentham Life Sciences
Acetone oxime
Santa Cruz Biotechnology
For experimental / research use only.
Acetone Oxime
Sigma-Aldrich: Aldrich
For experimental / research use only.
Acetone oxime 98%
 
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 4000 mg/kg
BEHAVIORAL: COMA
Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 522, 1957.

oral-rat LD > 500 mg/kg
National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 26, 1953.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for acetone oxime usage levels up to:
 not for fragrance use.
 
Recommendation for acetone oxime flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
EPA Substance Registry Services (TSCA):127-06-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :67180
National Institute of Allergy and Infectious Diseases:Data
N-propan-2-ylidenehydroxylamine
Chemidplus:0000127060
RTECS:AL6825000 for cas# 127-06-0
 
References:
 N-propan-2-ylidenehydroxylamine
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):67180
Pubchem (sid):135023909
 
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
KEGG (GenomeNet):C01995
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2928.00.5000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetone, oxime
 acetoneoxime
 acetonoxime
 acetoxime
N-hydroxy-2-propanimine
N-hydroxypropan-2-imine
b-isonitrosopropane
beta-isonitrosopropane
 propan-2-one oxime
N-propan-2-ylidene hydroxyl amine
N-propan-2-ylidenehydroxylamine
2-propanone oxime
2-propanoneoxime
 servon XACT 100
 

Articles:

PubMed:GSK-3? activation is required for ZIP-induced disruption of learned fear
PubMed:Antiherpetic potential of 6-bromoindirubin-3'-acetoxime (BIO-acetoxime) in human oral epithelial cells
PubMed:Identification of GSK-3 as a Potential Therapeutic Entry Point for Epilepsy
PubMed:Amination of tyrosine in liver cytosol protein of male F344 rats treated with 2-nitropropane, 2-nitrobutane, 3-nitropentane, or acetoxime
PubMed:Palladium(II)-Catalyzed Acetoxime Directed ortho-Arylation of Aromatic Alcohols
PubMed:Oxidation of the ketoxime acetoxime to nitric oxide by oxygen radical-generating systems
PubMed:Palladium-catalyzed direct mono-aroylation of O-arylmethyl and aryl-substituted acetoxime ethers
PubMed:Reversion of structure-activity relationships of antitumor platinum complexes by acetoxime but not hydroxylamine ligands
PubMed:Sex and organ differences in oxidative DNA and RNA damage due to treatment of Sprague-Dawley rats with acetoxime or 2-nitropropane
PubMed:Slow oxidation of acetoxime and methylethyl ketoxime to the corresponding nitronates and hydroxy nitronates by liver microsomes from rats, mice, and humans
PubMed:Mixed unsymmetric oxadiazoline and/or imine platinum(II) complexes
PubMed:An evaluation of indirubin analogues as phosphorylase kinase inhibitors
PubMed:Vasorelaxant activity of some oxime derivatives
PubMed:Rapid analysis of acetone in human plasma by derivatization desorption electrospray ionization
PubMed:Synthesis and anti-inflammatory activity of novel (substituted)benzylidene acetone oxime ether derivatives: molecular modeling study
PubMed:Induction of hyperplastic liver nodules in Wistar and MRC-Wistar rats by phenobarbital and the liver carcinogens acetoxime, 1-nitroso-5,6-dihydrouracil and 3-nitroso-2-oxazolidinone
PubMed:Direct ortho-C-H functionalization of aromatic alcohols masked by acetone oxime ether via exo-palladacycle
PubMed:Glycogen synthase kinase-3 plays a central role in mediating glucocorticoid-induced apoptosis
PubMed:Acetoxime is metabolized by human and rodent hepatic cytochrome P450 enzymes to the genotoxicant and carcinogen propane 2-nitronate
PubMed:Fine-Tuning of the RIG-I-Like Receptor/Interferon Regulatory Factor 3-Dependent Antiviral Innate Immune Response by the Glycogen Synthase Kinase 3/?-Catenin Pathway
PubMed:Relaxant effect of oxime derivatives in isolated rat aorta: role of nitric oxide (NO) formation in smooth muscle
PubMed:Determination of acetone in human breath by gas chromatography-mass spectrometry and solid-phase microextraction with on-fiber derivatization
PubMed:Oxidative DNA and RNA damage in rat liver due to acetoxime: similarity to effects of 2-nitropropane
PubMed:H/D isotopic and temperature effects in the polarized IR spectra of hydrogen-bond cyclic trimers in the crystal lattices of acetone oxime and 3,5-dimethylpyrazole
PubMed:Photodissociation dynamics of acetoxime in gas phase
PubMed:Synthesis of 3,5-isoxazolidinediones and 1H-2,3-benzoxazine-1,4(3H)-diones from aliphatic oximes and dicarboxylic acid chlorides
PubMed:6-Br-5methylindirubin-3'oxime (5-Me-6-BIO) targeting the leishmanial glycogen synthase kinase-3 (GSK-3) short form affects cell-cycle progression and induces apoptosis-like death: exploitation of GSK-3 for tre
PubMed:Synthesis, Structures, and Photocurrent Responses of Polyoxo-Titanium Clusters with Oxime Ligands: From Ti(4) to Ti(18)
PubMed:Activation of n-3 polyunsaturated fatty acids as oxime esters: a novel approach for their exclusive incorporation into the primary alcoholic positions of the glycerol moiety by lipase
PubMed:Nitrate formation during ozonation as a surrogate parameter for abatement of micropollutants and the N-nitrosodimethylamine (NDMA) formation potential
PubMed:GSK3 inhibitors regulate MYCN mRNA levels and reduce neuroblastoma cell viability through multiple mechanisms, including p53 and Wnt signaling
PubMed:Cellular accumulation and DNA interaction studies of cytotoxic trans-platinum anticancer compounds
PubMed:Chimeric 5/35 adenovirus-mediated Dickkopf-1 overexpression suppressed tumorigenicity of CD44? gastric cancer cells via attenuating Wnt signaling
PubMed:Oximate-substituted zirconium alkoxides
PubMed:Nitroreduction is not involved in the genotoxicity of 2-nitropropane in cultured mammalian cells
PubMed:Lipoamide dehydrogenase and diaphorase catalyzed conversion of some NO donors to NO and reduction of NO scavenger 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (PTIO)
PubMed:Fast and low-temperature sintering of silver complex using oximes as a potential reducing agent for solution-processible, highly conductive electrodes
PubMed:Selective C(sp(3) )-H and C(sp(2) )-H Fluorination of Alcohols Using Practical Auxiliaries
PubMed:Studies on the acetylation and NMR reassignment of indirubin derivatives
PubMed:Inhibition of copper amine oxidases by pyridine-derived aldoximes and ketoximes
PubMed:Vapor-phase Beckmann rearrangement of oxime molecules over H-Faujasite zeolite
PubMed:Apposition of silica lamellae during growth of spicules in the demosponge Suberites domuncula: biological/biochemical studies and chemical/biomimetical confirmation
PubMed:Rapid determination of acetone in human plasma by gas chromatography-mass spectrometry and solid-phase microextraction with on-fiber derivatization
PubMed:Investigation of the chemical basis of nitroalkane toxicity: tautomerism and decomposition of propane 1- and 2-nitronate under physiological conditions
PubMed:Synthesis, antifungal activities, and potential detoxification of N-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)thiocarbamates
PubMed:Rapid determination of acetone in human blood by derivatization with pentafluorobenzyl hydroxylamine followed by headspace liquid-phase microextraction and gas chromatography/mass spectrometry
PubMed:E/Z Energetics for Molecular Modeling and Design
PubMed:Carcinogenicity test of acetoxime in MRC-Wistar rats
PubMed:Genotoxicity of N-nitroso-N-methylurea and acetone oxime in the transgenic Drosophila carrying the human gene encoding a subunit of glutathione S-transferase
PubMed:Nitrite formation from hydroxylamine and oximes by Pseudomonas aeruginosa
PubMed:Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical
PubMed:Reaction mechanism of an intramolecular oxime transfer reaction: a computational study
PubMed:Is the Beckmann rearrangement a concerted or stepwise reaction? A computational study
PubMed:Sulfotransferase-mediated genotoxicity of propane 2-nitronate in cultured ovine seminal vesicle cells
PubMed:Theoretical and experimental study of 15N NMR protonation shifts
PubMed:Activation of propane 2-nitronate to a genotoxicant in V79-derived cell lines engineered for the expression of rat hepatic sulfotransferases
PubMed:Comparison of kinetic properties of amine oxidases from sainfoin and lentil and immunochemical characterization of copper/quinoprotein amine oxidases
PubMed:The formation of silkworm virus by acetoxime feeding
PubMed:Ab initio molecular electrostatic potentials of perillartine analogues: implications for sweet-taste receptor recognition
PubMed:Human phenol sulfotransferases hP-PST and hM-PST activate propane 2-nitronate to a genotoxicant
PubMed:Aluminum compounds containing eta1- and/or eta5-bidentate dianionic pyrrolyl-methylamide ligands
PubMed:An Intramolecular Nitrone-Olefin Dipolar Cycloaddition-Based Approach to Total Synthesis of the Cylindricine and Lepadiformine Marine Alkaloids
PubMed:Pt(II)-mediated imine-nitrile coupling leading to symmetrical (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato)Pt(II) complexes containing the incorporated 1,3-diiminoisoindoline moiety
PubMed:Synthesis and beta-adrenergic blocking activity of new aliphatic oxime ethers
PubMed:Preparation of beta- and gamma-lactams from carbamoyl radicals derived from oxime oxalate amides
PubMed:Regulation of endothelin-1 expression in normal and transfected endothelial cells
PubMed:Prophage induction in lysogenic Escherichia coli with simple hydroxylamine and hydrazine compounds
PubMed:Gas chromatographic-mass spectrometric analysis of hydroxylamine for monitoring the metabolic hydrolysis of metalloprotease inhibitors in rat and human liver microsomes
PubMed:[Electrochemical reduction of (R)-1- hydroxyl-1-(m-hydroxylphenyl)-acetone oxime--a new method of preparing metaraminol (author's transl)]
PubMed:[Structure of adducts prepared from nicotinamide adenine dinucleotide and their oximes]
 
Notes:
None found
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