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

para-chloroacetophenone
4-chlorophenyl methyl ketone

Supplier Sponsors

Name:1-(4-chlorophenyl)ethanone
CAS Number: 99-91-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-800-7
FDA UNII:ZV4A71K303
Nikkaji Web:J38.176D
Beilstein Number:0386014
MDL:MFCD00000624
XlogP3:2.30 (est)
Molecular Weight:154.59499000
Formula:C8 H7 Cl O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:herbicides / pesticides
 
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:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 14.00 to 18.00 °C. @ 760.00 mm Hg
Boiling Point: 231.00 to 233.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.122000 mmHg
Flash Point: 194.00 °F. TCC ( 90.00 °C. )
logP (o/w): 2.350
Soluble in:
 alcohol
 water, 755.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:216 hour(s) at 100.00 %
sweet hawthorn hay floral
Odor Description:at 100.00 %. sweet mild acetophenone hay
Luebke, William tgsc, (1986)
Odor sample from: Harrmann & Reimer Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
EMD Millipore
For experimental / research use only.
4'-Chloroacetophenone
Penta International
p-CHLOROACETOPHENONE
Santa Cruz Biotechnology
For experimental / research use only.
4'-Chloroacetophenone
Sigma-Aldrich: Aldrich
For experimental / research use only.
4'-Chloroacetophenone 97%
TCI AMERICA
For experimental / research use only.
4'-Chloroacetophenone >97.0%(GC)
 
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 100 mg/kg
National Technical Information Service. Vol. AD277-689

oral-mouse LD50 1207 mg/kg
PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Pharmazie. Vol. 31, Pg. 317, 1976.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-human TCLo 1 mg/m3/1M
SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
"Manual of Pharmacology and Its Applications to Therapeutics and Toxicology," 8th ed., Sollman, T., Philadelphia, W.B. Saunders Co., 1957Vol. 8, Pg. 192, 1957.

inhalation-mouse LC50 1752 mg/m3/15M
JAT, Journal of Applied Toxicology. Vol. 14, Pg. 411, 1994.

 
Safety in Use Information:
Category: herbicides / pesticides
Recommendation for para-chloroacetophenone usage levels up to:
 not for fragrance use.
 
Recommendation for para-chloroacetophenone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):99-91-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7467
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
1-(4-chlorophenyl)ethanone
Chemidplus:0000099912
RTECS:KM5600000 for cas# 99-91-2
 
References:
 1-(4-chlorophenyl)ethanone
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:99-91-2
Pubchem (cid):7467
Pubchem (sid):134972214
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
Metabolomics Database:Search
UM BBD:Search
KEGG (GenomeNet):C06647
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.70.4000
Haz-Map:View
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
amber
cistus ladaniferus resinoid
FL/FR
anisic
para-
anisaldehyde
FL/FR
floral
heliotropin
FL/FR
terpenic
alpha-
terpineol
FL/FR
For Flavor
No flavor group found for these
cistus ladaniferus resinoid
FL/FR
cherry
cherry
heliotropin
FL/FR
citrus
alpha-
terpineol
FL/FR
creamy
para-
anisaldehyde
FL/FR
 
Potential Uses:
FRamber
FRfern
FRhawthorn
FRhay new mown hay
FRlilac
FRmimosa
FRwisteria
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetophenone, 4-chloro-
 acetophenone, 4'-chloro-
1-acetyl-4-chlorobenzene
4-acetylchlorobenzene
p-acetylchlorobenzene
p-chloracetophenone
1-(4-chloro-phenyl)-ethanone
4-chloroacetophenone
4'-chloroacetophenone
p-chloroacetophenone
4-chlorophenyl methyl ketone
p-chlorophenyl methyl ketone
1-(4-chlorophenyl)-ethanone
1-(4-chlorophenyl)ethan-1-one
1-(4-chlorophenyl)ethanone
4-chlorophenylacetone
1-(4-chlorphenyl)ethanon
 ethanone, 1-(4-chlorophenyl)-
 methyl 4-chlorophenyl ketone
 methyl p-chlorophenyl ketone
 

Articles:

PubMed:A Novel Carbonyl Reductase with Anti-Prelog Stereospecificity from Acetobacter sp. CCTCC M209061: Purification and Characterization.
PubMed:Synthesis, Characterization, and Bioactivity of Schiff Bases and Their Cd(2+), Zn(2+), Cu(2+), and Ni(2+) Complexes Derived from Chloroacetophenone Isomers with S-Benzyldithiocarbazate and the X-Ray Crystal Structure of S-Benzyl- β -N-(4-chlorophenyl)methylenedithiocarbazate.
PubMed:Synthesis of imine and reduced imine compounds containing aromatic sulfonamide: use as catalyst for in situ generation of ruthenium catalysts in transfer hydrogenation of acetophenone derivatives.
PubMed:Halo-substituted thiosemicarbazones and their copper(II), nickel(II) complexes: detailed spectroscopic characterization and study of antitumour activity against HepG2 human hepatoblastoma cells.
PubMed:Mechanism of ketone allylation with allylboronates as catalyzed by zinc compounds: a DFT study.
PubMed:Immobilization of Acetobacter sp. CCTCC M209061 for efficient asymmetric reduction of ketones and biocatalyst recycling.
PubMed:Synthesis, characterization, photophysical properties of a novel organic photoswitchable dyad in its pristine and hybrid nanocomposite forms.
PubMed:Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives.
PubMed:The rates of charge separation and energy destructive charge recombination processes within an organic dyad in presence of metal-semiconductor core shell nanocomposites.
PubMed:Optimization of culture conditions to produce high yields of active Acetobacter sp. CCTCC M209061 cells for anti-Prelog reduction of prochiral ketones.
PubMed:[Broader substrate specifity of Candida parapsilosis SCR II for catalyzing acetophenone derivatives by site-directed mutagenesis].
PubMed:Development of a nanocomposite system by combining an organic dyad 1-(4-chloro-phenyl)-3-(4-methoxy-naphthalen-1-yl)-Propenone with semiconductor TiO2 nanoparticles.
PubMed:Asymmetric reduction of prochiral ketones to chiral alcohols catalyzed by plants tissue.
PubMed:A new facile approach to the synthesis of 3-methylthio-substituted furans, pyrroles, thiophenes, and related derivatives.
PubMed:Precolumn derivatization of cysteine residues for quantitative analysis of five major cytochrome P450 isoenzymes by liquid chromatography/tandem mass spectrometry.
PubMed:Perfect polar stacking of parallel beloamphiphile layers. Synthesis, structure and solid-state optical properties of the unsymmetrical acetophenone azine DCA.
PubMed:[Preparation of chiral alcohol by stereoselective reduction of acetophenone and chloroacetophenone with yeast cells].
PubMed:The methoxycarbonylation of aryl chlorides catalysed by palladium complexes of bis(di-tert-butylphosphinomethyl)benzene.
PubMed:Bulky triarylarsines are effective ligands for palladium catalysed Heck olefination.
PubMed:Oxime carbapalladacycle covalently anchored to high surface area inorganic supports or polymers as heterogeneous green catalysts for the Suzuki reaction in water.
PubMed:Ab initio evaluation of intramolecular electron transfer reactions in halobenzenes and stabilized derivatives.
PubMed:An oxime-carbapalladacycle complex covalently anchored to silica as an active and reusable heterogeneous catalyst for Suzuki cross-coupling in water.
PubMed:4-chloroacetophenone
PubMed:Microbial degradation of chlorinated acetophenones.
PubMed:Novel biotransformations of 4-chlorobiphenyl by a Pseudomonas sp.
PubMed:[Morphological findings in the rabbit cornea after tear gas cauterization (author's transl)].
 
Notes:
None found
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