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Phenylacetic acid

Phenylacetic acid Basic information
Description References
Product Name:Phenylacetic acid
Synonyms:benzenaceticacid;benzeneethanoicacid;ethanoicacid,phenyl-;Kyselina fenyloctova;kyselinafenyloctova;omega-Phenylacetic acid;omega-phenylaceticacid;phenylacetic
CAS:103-82-2
MF:C8H8O2
MW:136.15
EINECS:203-148-6
Product Categories:Building Blocks;C8;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Citrus aurantium (Seville orange);Nutrition Research;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);API
Mol File:103-82-2.mol
Phenylacetic acid Structure
Phenylacetic acid Chemical Properties
Melting point 76-78 °C(lit.)
Boiling point 265 °C(lit.)
density 1.081 g/mL at 25 °C(lit.)
vapor density ~4 (vs air)
vapor pressure 1 mm Hg ( 97 °C)
FEMA 2878 | PHENYLACETIC ACID
refractive index 1.5120 (estimate)
Fp 132°C
storage temp. Store at RT.
form neat
pka4.28(at 18℃)
Specific Gravity1.081
Water Solubility 15 g/L (20 ºC)
Merck 14,7268
BRN 1099647
Stability:Stable. Incompatible with strong oxidizing agents.
CAS DataBase Reference103-82-2(CAS DataBase Reference)
NIST Chemistry ReferenceBenzeneacetic acid(103-82-2)
EPA Substance Registry SystemBenzeneacetic acid(103-82-2)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36-37/39
RIDADR UN 3335
WGK Germany 1
RTECS AJ2430000
13
TSCA Yes
HS Code 29163400
Hazardous Substances Data103-82-2(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
MSDS Information
ProviderLanguage
Benzeneacetic acid English
SigmaAldrich English
ALFA English
Phenylacetic acid Usage And Synthesis
DescriptionNaturally occurring in various types of fruits and other plants, phenylacetic acid is a fragrant phenolic used as a perfume agent and food additive.  Its pharmaceutical uses include the treatment of hyperammonemia for patients with deficiencies related to the urea cycle, and as a side chain precursor in the production of penicillin G. It also plays a role in the production of Camylofin, Bendazol, and Triafungin.
Because of its use in the production of phenylacetone (used to manufacture substituted amphetamines, including methamphetamine), it is a controlled substance.
Referenceshttps://en.wikipedia.org/wiki/Phenylacetic_acid
https://pubchem.ncbi.nlm.nih.gov/compound/phenylacetic_acid
http://www.thegoodscentscompany.com/data/rw1009911.html
https://www.drugbank.ca/drugs/DB09269
Chemical Propertieswhite crystals with a honey-like odour
UsesPhenylacetic Acid is used in the synthesis of Diclofenac (D436450) and its metabolite 4'-Hydroxydiclofenac (H825225), which is the principal human metabolite of Diclofenac.
UsesPhenylacetic Acid is a flavoring agent that is crystalline (white, glis- tening), with unpleasant, persisting odor resembling geranium leaf and rose when diluted. it is soluble in most fixed oils and glycerin, slightly soluble in water, and insoluble in mineral oil. it is obtained by chemical synthesis. it is also termed a-toluic acid.
DefinitionChEBI: A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.
Safety ProfileModerately toxic by ingestion, subcutaneous, and intraperitoneal routes. An experimental teratogen. Combustible liquid. Used in production of drugs of abuse. When heated to decomposition it emits acrid smoke and irritating fumes
Purification MethodsCrystallise the acid from pet ether (b 40-60o), isopropyl alcohol, 50% aqueous EtOH or hot water (m 77.8-78.2o). Dry it in vacuo. It can be distilled under a vacuum. [Beilstein 9 II 294, 9 III 2169.]
Tag:Phenylacetic acid(103-82-2) Related Product Information
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