benzilic acid
a-hydroxydiphenylacetic acid
 
Notes:
None found
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2-hydroxy-2,2-diphenylacetic acid (Click)
CAS Number: 76-93-7Picture of molecule
ECHA EINECS - REACH Pre-Reg: 200-993-2
FDA UNII: 8F6J993XXR
Nikkaji Web: J4.188B
Beilstein Number: 0521402
MDL: MFCD00004447
XlogP3: 2.30 (est)
Molecular Weight: 228.24724000
Formula: C14 H12 O3
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: buffering agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: white to tan powder (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 151.00 °C. @ 760.00 mm Hg
Boiling Point: 409.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 2.320000 mm/Hg @ 25.00 °C. (est)
Flash Point: 420.00 °F. TCC ( 215.30 °C. ) (est)
logP (o/w): 2.300
Soluble in:
 water, 1410 mg/L @ 25 °C (exp)
 water, 2714 mg/L @ 25 °C (est)
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Organoleptic Properties:
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: buffering agents
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Suppliers:
Sigma-Aldrich: Aldrich
For experimental / research use only.
Benzilic Acid ≥99%
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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:
oral-mouse LD50  2000 mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.

Dermal Toxicity:
subcutaneous-mouse LD50 1300 mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: buffering agents
Recommendation for benzilic acid usage levels up to:
 not for fragrance use.
 
Recommendation for benzilic acid flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
NLM Hazardous Substances Data Bank: Search
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 76-93-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6463
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 2-hydroxy-2,2-diphenylacetic acid
Chemidplus: 0000076937
RTECS: DD2064000 for cas# 76-93-7
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References:
 2-hydroxy-2,2-diphenylacetic acid
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 76-93-7
Pubchem (cid): 6463
Pubchem (sid): 134971986
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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
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2918.19.1000
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzeneacetic acid, a-hydroxy-a-phenyl-
 benzilicacid
 benzylic acid
2,2-diphenyl-2-hydroxyacetic acid
a,a-diphenyl-a-hydroxyacetic acid
 diphenylglycolic Acid
a,a-diphenylglycolic acid
 diphenylhydroxyacetic acid
 glycolic acid, diphenyl-
2-hydroxy-2,2-diphenylacetic acid
a-hydroxy-2,2-diphenylacetic acid
2-hydroxy-2,2-diphenylaceticacid
a-hydroxy-a-phenylbenzeneacetic acid
 hydroxy(diphenyl)acetic acid
 hydroxydiphenylacetic acid
a-hydroxydiphenylacetic acid
a-phenylmandelic acid
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Articles:
PubMed: Synthesis and biological comparison of enantiomers of mepenzolate bromide, a muscarinic receptor antagonist with bronchodilatory and anti-inflammatory activities.
PubMed: Transition-metal-free and chemoselective NaO(t)Bu-O2-mediated oxidative cleavage reactions of vic-1,2-diols to carboxylic acids and mechanistic insight into the reaction pathways.
PubMed: A computational study of base-catalyzed reactions of cyclic 1,2-diones: cyclobutane-1,2-dione.
PubMed: A mechanistic study on the Hooker oxidation: synthesis of novel indane carboxylic acid derivatives from lapachol.
PubMed: WYE-120318, a ring contraction product of methylnaltrexone, and structure revision of coniothyrione.
PubMed: B-norsteroids from Hymenoscyphus pseudoalbidus.
PubMed: Oxidative decarboxylation of benzilic acid by a biomimetic iron(II) complex: evidence for an iron(IV)-oxo-hydroxo oxidant from O2.
PubMed: Domino reactions consisting of heterocyclization and 1,2-migration-redox-neutral and oxidative transition-metal catalysis.
PubMed: Thermally assisted methylation and subsequent silylation of scheduled acids of chemical weapon convention for on-site analysis and its comparison with the other methods of methylation.
PubMed: Synthesis and antimicrobial evaluation of new 3-alkyl/aryl-2-[((alpha,alpha-diphenyl-alpha-hydroxy)acetyl)hydrazono]-5-methyl-4-thiazolidinones.
PubMed: Preparation, circular dichroism induced helical conformation and optical property of chitosan acid salt complexes for biomedical applications.
PubMed: Total synthesis of meloscine by a [2+2]-photocycloaddition/ring-expansion route.
PubMed: Regioselective glycosylation of 7-azapteridines and conversion of the 7-azapteridine nucleosides into 6-azapurine nucleosides.
PubMed: Identification of fredericamycin E from Streptomyces griseus: Insights into fredericamycin A biosynthesis highlighting carbaspirocycle formation.
PubMed: Efficient synthesis of highly substituted Pyrrolin-4-ones via PIFA-mediated cyclization reactions of enaminones.
PubMed: Methanolysis as a route to gallium(III) clusters: synthesis and structural characterization of a decanuclear molecular wheel.
PubMed: Ion-pair solid-phase extraction and gas chromatography-mass spectrometric determination of acidic hydrolysis products of chemical warfare agents from aqueous samples.
PubMed: In situ synthesis of trisubstituted methanol ligands and their potential as one-pot generators of cubane-like metal complexes.
PubMed: A FMO-controlled reaction path in the benzil-benzilic acid rearrangement.
PubMed: The hexacoordinate silicate dianions mer-tris[glycolato(2-)-O(1),O(2)]silicate and fac-tris[benzilato(2-)-O(1),O(2)]silicate: syntheses and structural characterization.
PubMed: Influence of pyrolytic and aqueous-phase reactions on the mechanism of formation of Maillard products.
PubMed: Correction of the stereochemical assignment of the benzilic acid center in (R)-(-)-3-quinuclidinyl (S)-(+)-4-iodobenzilate [(R,S)-4-IQNB].
PubMed: New catalytic roles for serine esterases: a 19F-NMR study of the interaction of 3,3,3-trifluoro-2,2-dihydroxy-1-phenyl-1-propanone with chicken liver carboxylesterase.
PubMed: Syntheses and biological properties of chiral fluoroalkyl quinuclidinyl benzilates.
PubMed: Bromopropylate: induction of hepatic cytochromes P450 and absence of covalent binding to DNA in mouse liver.
PubMed: A novel and highly sensitive catalytic method for the determination of ultratrace amounts of gold in ores with linear scan voltammetry at a DME.
PubMed: Determination of 3-quinuclidinyl benzilate (QNB) and its major metabolites in urine by isotope dilution gas chromatography/mass spectrometry.
PubMed: [Mode of inhibitory action of propiverine hydrochloride on the micturition movements of the bladder in dogs].
PubMed: [Effect of propiverine hydrochloride on the function of the bladder in dogs].
PubMed: [Biotransformation of denaverin (Spasmalgan) in the rat].
PubMed: [The biotransformation of propiverin hydrochloride (Mictonorm)].
PubMed: [The spasmolytic activity of propiverine and some of its structural analogs].
PubMed: [Analysis and stability of propiverine hydrochloride (Mictonorm)].
PubMed: Pharmacology of the anticholinergic bronchospasmolytic agent flutropium bromide.
PubMed: Molecular and crystal structure of flutropium bromide.
PubMed: Synthesis of the bronchospasmolytic agent flutropium bromide and of some homologous and configuration isomeric compounds.
PubMed: Pathways of decomposition of propylbenzilylcholine mustard in neutral and alkaline solution.
PubMed: Affinity labeling of muscarinic receptors in rat cerebral cortex with a photolabile antagonist.
PubMed: Influence of various phenolic compounds on Azotobacter.
PubMed: syn-anti Isomerization in testosterone 17-enanthate 3-benzilic acid hydrazone.
PubMed: Stability-indicating analysis of injectable estrogen-androgen combinations in formulations containing corn oil.
PubMed: Preliminary screening of anticholinergic effect of some new derivatives of glycolic and aminoacetic acids.
PubMed: In vivo and in vitro studies on the antimuscarinic activity of some amino esters of benzilic acid.
PubMed: [Analytical study of new anticholinergic substances. II. Methods for the determination of 3-quinuclidylester chloride of benzilic acid].
PubMed: Nonoxidative enzymes in the metabolism of insecticides.
PubMed: [Studies on the absorption of benzilic acid esters of homologous dimethyl-(2-hydroxyethyl)-alkylammonium bromides through buccal mucosa. 5th communication: On optimum bioavailability of homologous quaternary ammonium compounds (author's transl)].
PubMed: Nonoxidative enzymes in the metabolism of insecticides.
PubMed: [Optimating the availability of homologous quaternary ammonium compounds/3rd communication: The influence of salts on in vitro distribution of benzilic acid esters of homologous dimethyl-(2-hydroxyethyl)-alkyl-ammoniumbromides (author's transl)].
PubMed: [The optimization of the availability of homologous quaternary ammonium compounds. 2. In vitro studies on the partition of homologous benzilic acid esters of dimethyl-(2-hydroxyethyl)-alkylammonium bromides].
PubMed: [The optimization of availability of homologous quaternary ammonium compounds. 1. Physico-chemical properties and ion-pair dissociation of homologous benzilic acid esters of dimethyl (2-hydroxyethyl)alkylammonium bromides].
PubMed: [A-nortriterpenoids by benzilic acid rearrangement (author's transl)].
PubMed: Determination of scandium by precipitation with benzilic acid.
PubMed: [Identification of benzilic acid esters].
PubMed: 14C-tracer studies in the benzilic acid type rearrangement of 1-phenyl- and 1-(4-methoxyphenyl)-2-(3-pyridyl) glyoxal.
PubMed: [Extraction-photometric determination of derivatives of benzilic acid I].
PubMed: The structure of the benzilic acid rearrangement product of 3-alpha, 7-beta-diacetoxy-11-hydroxy-12-oxo-5-beta-androst-9(11)-ene. An unusual structure with three five-membered rings cis-fused.
PubMed: [Changes of ventilation and respiratory work in obstructive ventilation disorders through a new bronchodilator substance, benzilic acid--(N,N-dimethyl-2-hydroxymethylpiperidinium)estermethylsulfate].
PubMed: [Experiences with the new spasmo-analgetic benzilic acid-(N,N-dimethyl-2-hydroxymethylpiperidinium)estermethylsulfate in combination with the analgetic metamizol in a clinical department].
PubMed: [Cystometric studies with benzilic acid-(N,N-dimethyl-2-hydroxymethylpiperidinium)estermethylsulfate].
PubMed: [The effect of the new spasmolytic benzilic acid-(N,N-dimethyl-2-hydroxymethylpiperidinium)estermethylsulfate on the acidity content of the stomach].
PubMed: [Studies on the effect of benzilic acid-(N,N-dimethyl-2-hydroxymethylpiperidinium)estermethylsulfate on the tone and motility of the human intestinal tract].
PubMed: [The effect of benzilic acid-(N,N-dimethyl-2-hydroxymethylpiperidinium)estermethylsulfate on the hemodynamics of the anesthestized cat].
PubMed: [On the behavior of benzilic acid-(N,N-dimethyl-2-hydroxymethylpiperidinium)estermethylsulfate in the organism].
PubMed: [Pharmacologic and toxicologic studies on benzilic acid-(N,N-dimethyl-2-hydroxymethylpiperidinium)estermethylsulfate--a new spasmolytic].
PubMed: [The testing of the new spasmolytic benzilic acid-(N,N-dimethyl-2-hydroxymethylpiperidinium)estermethylsulfate in the clinic and practice].
PubMed: [The irritable bladder as a test object for spasmolytics. Experimental and clinical testing of benzilic acid-(N,N-dimethyl-2-hydroxymethylpiperidinium)estermethylsulfate].
PubMed: [Kinetics of decomposition of benzilic acid esters. 3. Study of kinetics of decomposition of benactyzine hydrochloride and methyliodide and diphemin hydrochloride].
PubMed: [Kinetics of decomposition of benzilic acid esters. II. Spectrophotometric determination of the esters in solutions containing decomposition products].
PubMed: [ATTEMPT AT A BENZILIC ACID OF PHENYL-ANTIPYRYL KETONE].
PubMed: STUDIES ON CENTRAL NERVOUS SYSTEM DEPRESSANTS. (VI). CENTRAL NERVOUS SYSTEM ACTIONS OF THREE ESTERS OF BENZILIC ACID.
PubMed: [ON THE PHARMACOLOGY OF A SERIES OF NEW BENZILIC ACID DERIVATIVES. V. CARDIAC AND CIRCULATORY EFFECTS, AS WELL AS FURTHER PERIPHERAL AND CENTRAL EFFECTS; CHRONIC TOXICITY].
PubMed: [THE CHOLINOLYTIC ACTIVITY AND SOME PHYSICO-CHEMICAL PROPERTIES OF ALKYLAMINOETHYL ESTERS OF BENZILIC ACID].
PubMed: [ON THE PHARMACOLOGY OF A NEW SERIES OF NEW BENZILIC ACID DERIVATIVES. IV. ON THE EFFECT ON THE AGGRESSIVE STATE OF ALBINO RATS AND FIGHTING FISH].
PubMed: [ON THE PHARMACOLOGY OF A SERIES OF NEW BENZILIC ACID DERIVATIVES. III. ON THE EFFECT ON CONDITIONED FLIGHT REFLEX IN ALBINO RATS].
PubMed: [ON THE PHARMACOLOGY OF A SERIES OF NEW BENZILIC ACID DERIVATIVES. II. SPASMOLYTIC EFFECTIVENESS IN VITRO AND IN VIVO].
PubMed: [On the pharmacology of a series of new benzilic acid derivatives. I. Toxicity, analgesic activity and other effects on the central nervous system].
PubMed: Studies on the application of the benzilic acid rearrangement to the preparation of a-norsteroids.
PubMed: [Research on the effect of the beta-dimethyloctylammonium ethyl ester bromide of benzilic acid on the cerebral blood vessels].
PubMed: [Effect of "loading" the dialkylaminoethyl radical on the pharmacological properties of benzilic acid esters].
PubMed: [Pharmacological properties of the dimethyloctylammoniumethyl ester of benzilic acid].
PubMed: [Studies on spasmolytics. V. Benzilic acid esters].
PubMed: Benzilic acid diethylaminoethylester hydrochloride (phobex) in the treatment of chronically psychotic patients.
PubMed: [Pharmacological properties of benzilic acid 2-diethylaminoethyl ester (benactyzine), substances used in the treatment of anxiety states].
PubMed: Phramacological properties of esters of 1-alkyl-2-hydroxyalkylpyrrolidine and their quaternary derivatives.
PubMed: [A new treatment of psychoneuroses; benzilic acid 2-diethylaminoethyl ester].
PubMed: On the effect of suavitil (benzilic acid diethylaminoethylester hydrochloride) on the higher mental functions of normal subjects.
PubMed: The autonomic reaction of psycho-neurotics to a new sedative: benactyzine NFN, suavitil (R) (benzilic acid diethylaminoethylester hydrochloride).
PubMed: The general pharmacology of benzilic acid diethylaminoethylester hydrochloride (benactyzine NFN, suavitil, parasan).
PubMed: The effect of benzilic acid diethylaminoethylester HCl (benactyzine) on stress-induced behaviour in the rat.
PubMed: [Pharmacological properties and clinical effects of the hydrochloride of the benzilic acid ester of tropine].
PubMed: [Research on the parasympatholytic activity of benzilic acid derivatives].
PubMed: Pharmacology of benzilic acid derivatives.
PubMed: [Alkamine ester of benzilic acid as a spasmolytic].
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