Acetophenone

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Catalog Number : CS-T-00319
CAS Number : 98-86-2
Status :
Category : API Standards
Industry : Flavours And Fragrances
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Canonical SMILES : CC(=O)C1=CC=CC=C1
Isomeric SMILES : CC(=O)C1=CC=CC=C1
InChI : InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InchIKey : KWOLFJPFCHCOCG-UHFFFAOYSA-N
IUPAC Name : 1-phenylethanone
Exact Mass : 120.057514874
Color : Colorless liquid
Odor : Sweet pungent odor
Melting Point : 67.5 °F (USCG, 1999)
Boiling Point : 395.1 °F at 760 mm Hg (USCG, 1999)
Solubility : 0.05 M
Density : 1.028 at 68 °F (USCG, 1999)
Chemical Classes : Other Classes -> Aromatic Ketones
Use Classification : Hazardous Air Pollutants (HAPs)
Industry Uses : Corrosion inhibitors and anti-scaling agents
Consumer Uses : Air care products
Hazard Class : Acute Tox. 4 *
Description : Acetophenone is a methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. It has a role as a photosensitizing agent, an animal metabolite and a xenobiotic.
Disposal Methods : Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U004, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
EC Number : 202-708-7
Vapor Pressure : 0.40 mmHg
Toxicity Summary : IDENTIFICATION AND USE: Acetophenone is a liquid, forming crystals at low temperature. It is used in perfumery to impart an orange blossom-like odor, as a catalyst for the polymerization of olefins, and in organic syntheses, especially as photosensitizer. HUMAN STUDIES: No skin sensitization was noted when 2% acetophenone in petrolatum was tested on humans. The substance is irritating to the eyes, and may cause effects on the central nervous system. Exposure at high levels could cause unconsciousness. After long-term or repeated exposure the liquid defats the skin. ANIMAL STUDIES: Application of acetophenone to the eyes of rabbits as two drops of saturated aqueous solution caused discomfort. In another study, 0.005 mL of a 15% solution (750 ug) produced severe corneal necrosis in the rabbit eye. Mice survived 0.7 g/kg of acetophenone injected intraperitoneally, but clear-cut hypnotic effects occurred rapidly at dosage levels of 0.4 to 0.5 g/kg. In a combined subchronic and reproduction/developmental screening study, groups of 10 male and 10 female rats received oral gavage administrations of 0, 75, 225 or 750 mg/kg/day acetophenone for 28 days in the toxicity phase of testing. No deaths were seen; signs of overt toxicity included increased salivation at 225 and 750 mg/kg/day. The neurological examination further indicated decreased motor activity and decreased forelimb grip at 750 mg/kg/day in males only. Other signs of overt toxicity included decreased body weight and food consumption with increased cholesterol levels for the high-dose group. In the developmental portion of the study there were no adverse effects on the mating or fertility indices or on gestation lengths. The live birth index was decreased at 750 mg/kg/day. Similarly, pup survival was decreased during lactation and mean pup weights were decreased at 750 mg/kg. There was no indication of a mutagenic activity with and without metabolic activation with the Salmonella typhimurium strains TA98, TA100 and TA1537.
Antidoteand Emergency Treatment : Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Ketones and related compounds/
Human Toxicity Excerpts : /HUMAN EXPOSURE STUDIES/ No skin sensitization was noted when 2% acetophenone in petrolatum was tested on humans.

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CAT NO. COMPOUND CAS NO. CATEGORY
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CS-CE-00821 Deuterium Bromide 13536-59-9 Stable Isotope Reagent
CS-T-52330 Deuterium Chloride 7698-05-7 Stable Isotope Reagent
CS-BX-00568 Dibromomethane D2 22117-86-8 Stable Isotope Reagent
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CS-T-54279 Ethanol-OD 925-93-9 Stable Isotope Reagent
CS-O-10421 Iodomethane-d3 865-50-9 Stable Isotope Reagent
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CS-O-01232 Methyl-D3 Amine Hydrochloride 7436-22-8 Stable Isotope Reagent
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CS-T-60354 Phenol D5 4165-62-2 Stable Isotope Reagent
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CS-BX-01153 Phenylacetic acid-α,α-d2 1076-07-9 Stable Isotopes
CS-O-02793 Piperazine-D8 Dihydrochloride 849482-21-9 Stable Isotope Reagent
CS-T-60800 Propionic Acid D3 55577-88-3 Stable Isotope Reagent
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CS-O-15142 Sodium Deuteroxide 14014-06-3 Stable Isotope Reagent
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CS-C-00216 "Benzophenone-2,3,4,5,6-d5" 2694-78-2 Stable Isotopes
CS-CX-00453 "N,N-Dimethylaniline D6" 4019-61-8 Stable Isotopes
CS-T-53482 "1,1-Dimethyl-1-propanol D6" 75295-95-3 Stable Isotopes
CS-C-00175 "4-Bromoaniline-2,3,5,6-d4" 61357-76-4 Stable Isotopes
CS-T-59322 "4-Nitroaniline-2,3,5,6-D4" 64164-08-5 Stable Isotopes
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CS-O-42051 1-​(METHYL-​D3)​PIPERAZINE 2HCL 2043778-87-4 Stable Isotope Reagent
CS-T-94262 1,3-Dinitrobenzene-d4 54247-05-1 Stable Isotope Reagent
CS-T-49864 2-Bromopropane D6 52809-76-4 Stable Isotope Reagent
CS-T-49863 2-Bromopropane D7 39091-63-9 Stable Isotope Reagent
CS-C-00172 2-Methoxy-d3-benzaldehyde 56248-49-8 Stable Isotopes
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CS-T-67167 3-Bromoaniline D4 81395-17-7 Stable Isotopes
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