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

para-toluic acid
crithminic acid

Supplier Sponsors

CAS Number: 99-94-5Picture of molecule3D/inchi
Other(deleted CASRN):852148-36-8
ECHA EINECS - REACH Pre-Reg:202-803-3
FDA UNII: A26GBX5SSV
Nikkaji Web:J5.162D
Beilstein Number:0507600
MDL:MFCD00002565
XlogP3:2.30 (est)
Molecular Weight:136.15016000
Formula:C8 H8 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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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
Soluble in:
 water, 340 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
p-Toluic acid 95%
Sigma-Aldrich
For experimental / research use only.
p-Toluic Acid analytical standard
TCI AMERICA
For experimental / research use only.
p-Toluic Acid >98.0%(GC)(T)
 
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 916 mg/kg
CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 1893, 1978.

oral-mouse LD50 2340 mg/kg
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 1893, 1978.

intraperitoneal-rat LD50 874 mg/kg
CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 1893, 1978.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for para-toluic acid usage levels up to:
 not for fragrance use.
 
Recommendation for para-toluic acid flavor usage levels up to:
 not for flavor use.
 
Safety References:
European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):99-94-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7470
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
4-methylbenzoic acid
Chemidplus:0000099945
EPA/NOAA CAMEO:hazardous materials
RTECS:XU1575000 for cas# 99-94-5
 
References:
 4-methylbenzoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:99-94-5
Pubchem (cid):7470
Pubchem (cas):99-94-5
 
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
CHEMBL:View
Metabolomics Database:Search
UM BBD:Search
KEGG (GenomeNet):C01454
HMDB (The Human Metabolome Database):HMDB29635
FooDB:FDB000805
Export Tariff Code:2916.39.7900
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 horseradish
Search Trop Picture
 
Synonyms:
 benzoic acid, 4-methyl-
 crithminic acid
4-methyl benzoic acid
4-methylbenzoic acid
p-methylbenzoic acid
 toluene carboxylic acid
4-toluic acid
p-toluic acid
 

Articles:

PubMed:Biotransformation of p-xylene into terephthalic acid by engineered Escherichia coli.
PubMed:Supported C-Scorpionate Vanadium(IV) Complexes as Reusable Catalysts for Xylene Oxidation.
PubMed:Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid.
PubMed:Synthesis, characterization and antifungal efficacy of C-coordinated O-carboxymethyl chitosan Cu(II) complexes.
PubMed:A Sustainable Route to a Terephthalic Acid Precursor.
PubMed:Fast and efficient synthesis of Zorro-LNA type 3'-5'-5'-3' oligonucleotide conjugates via parallel in situ stepwise conjugation.
PubMed:Degradation pathway and kinetic analysis for p-xylene removal by a novel Pandoraea sp. strain WL1 and its application in a biotrickling filter.
PubMed:Insight into luminescence enhancement of coordinated water-containing lanthanide metal-organic frameworks by guest molecules.
PubMed:Synthesis of carbon-11-labeled 4-(phenylamino)-pyrrolo[2,1-f][1,2,4]triazine derivatives as new potential PET tracers for imaging of p38α mitogen-activated protein kinase.
PubMed:Synthesis of a new fluorine-18-labeled bexarotene analogue for PET imaging of retinoid X receptor.
PubMed:Effect of functionalized groups on gas-adsorption properties: syntheses of functionalized microporous metal-organic frameworks and their high gas-storage capacity.
PubMed:Organoimido-derivatized hexamolybdates with a remote carboxyl group: syntheses and structural characterizations.
PubMed:Spiroketals of Pestalotiopsis fici provide evidence for a biosynthetic hypothesis involving diversified Diels-Alder reaction cascades.
PubMed:Molecular structure, spectroscopic (FT-IR, FT-Raman) studies and first-order molecular hyperpolarizabilities, HOMO-LUMO, NBO analysis of 2-hydroxy-p-toluic acid.
PubMed:Bimodal electricity generation and aromatic compounds removal from purified terephthalic acid plant wastewater in a microbial fuel cell.
PubMed:Simultaneous determination of nine related substances in p-phthalic acid residue by RP-HPLC.
PubMed:Degradation pathways of 4-methylmethcathinone in alkaline solution and stability of methcathinone analogs in various pH solutions.
PubMed:Synthesis, growth, thermal, optical and mechanical properties of 2-Aminopyridinium 4-methylbenzoate Dihydrate.
PubMed:Phthalide derivatives with antifungal activities against the plant pathogens isolated from the liquid culture of Pestalotiopsis photiniae.
PubMed:Effect of substitution and planarity of the ligand on DNA/BSA interaction, free radical scavenging and cytotoxicity of diamagnetic Ni(II) complexes: a systematic investigation.
PubMed:Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature.
PubMed:The influence of dye structure on charge recombination in dye-sensitized solar cells.
PubMed:Chloropupukeanolides C-E: cytotoxic pupukeanane chlorides with a spiroketal skeleton from Pestalotiopsis fici.
PubMed:Isoflavones from the mangrove endophytic fungus Fusarium sp. (ZZF41).
PubMed:Pharmacological evaluation and characterizations of newly synthesized 1,2,4-triazoles.
PubMed:N-[2-(2-Chloro-phen-yl)-2-hy-droxy-eth-yl]propan-2-aminium 4-methyl-benzoate.
PubMed:Spectroscopic investigation of the species involved in the rhodium-catalyzed oxidative carbonylation of toluene to toluic acid.
PubMed:Modified epidermal growth factor receptor (EGFR)-bearing liposomes (MRBLs) are sensitive to EGF in solution.
PubMed:Preparation and characterization of mu-nitrido diiron phthalocyanines with electron-withdrawing substituents: application for catalytic aromatic oxidation.
PubMed:[Biotransformation of p-toluic acid by bacterium Rhodococcus ruber P25].
PubMed:Transition state-finding strategies for use with the growing string method.
PubMed:Chloropestolide A, an antitumor metabolite with an unprecedented spiroketal skeleton from Pestalotiopsis fici.
PubMed:Mono-, di- and polynuclear copper(II) compounds derived from N-butyldiethanolamine: structural features, magnetism and catalytic activity for the mild peroxidative oxidation of cyclohexane.
PubMed:Determining organic impurities in mother liquors from oxidative terephthalic acid synthesis by microemulsion electrokinetic chromatography.
PubMed:Sample stacking for determination of aromatic acid impurities by microemulsion electrokinetic chromatography.
PubMed:Development and application of a hybrid method involving interpolation and ab initio calculations for the determination of transition states.
PubMed:Screening of toxicological properties of 4-methylbenzoic acid by oral administration to rats.
PubMed:Multivariate analysis of homogeneous nucleation rate measurements. Nucleation in the p-toluic acid/sulfuric acid/water system.
PubMed:Biodegradability enhancement of purified terephthalic acid wastewater by coagulation-flocculation process as pretreatment.
PubMed:Synthesis of novel trifluoromethyl-bearing bifunctional acyl-acceptant arenes: 2,2'-bis(trifluoromethylated aryloxy)biphenyls.
PubMed:Toward a magnetostructural correlation for a family of Mn6 SMMs.
PubMed:Rubralactone, rubralides A, B and C, and rubramin produced by Penicillium rubrum.
PubMed:Chromatographic fingerprints of industrial toluic acids established for their quality control.
PubMed:Hydrogen bond mediated open-frame networks in coordination polymers: supramolecular assemblies of Pr(III) and 3,5-dinitro-4-methylbenzoic acid with aza-donor compounds.
PubMed:Pd-catalyzed carbonylative lactamization: a novel synthetic approach to FR900482.
PubMed:Combined application of stable carbon isotope analysis and specific metabolites determination for assessing in situ degradation of aromatic hydrocarbons in a tar oil-contaminated aquifer.
PubMed:Solvent-dependent coordination polymers: cobalt complexes of 3,5-dinitrobenzoic acid and 3,5-dinitro-4-methylbenzoic acid with 4,4'-bipyrdine.
PubMed:Capillary electrophoretic analysis of the derivatives and isomers of benzoate and phthalate.
PubMed:Effects of the headspace gas composition on anaerobic biotransformation of o-, m-, and p-toluic acid in sediment slurries.
PubMed:A correlative study between 99mTc-ESTCPTA and 99mTc-MIBI in rats.
PubMed:Structural basis and mechanism of the inhibition of the type-3 copper protein tyrosinase from Streptomyces antibioticus by halide ions.
PubMed:Transport across 1,9-decadiene precisely mimics the chemical selectivity of the barrier domain in egg lecithin bilayers.
PubMed:A computer simulation of functional group contributions to free energy in water and a DPPC lipid bilayer.
PubMed:Pure bacterial isolates that convert p-xylene to terephthalic acid.
PubMed:Biotransformation of p-toluic acid in anoxic estuarine sediments under a CO2 or N2/H2 atmosphere.
PubMed:A polar substituent-containing acylation agent for the radioiodination of internalizing monoclonal antibodies: N-succinimidyl 4-guanidinomethyl-3-[131I]iodobenzoate ([131I]SGMIB).
PubMed:Repellent and antifeedant activity of salicylic acid and related compounds against the biting midge, Culicoides impunctatus (Diptera: Ceratopogonidae).
PubMed:Molecular characterization of the genes of actinomycin synthetase I and of a 4-methyl-3-hydroxyanthranilic acid carrier protein involved in the assembly of the acylpeptide chain of actinomycin in Streptomyces.
PubMed:The barrier domain for solute permeation varies with lipid bilayer phase structure.
PubMed:Bufadienolides and other constituents of Urginea sanguinea.
PubMed:Degradation of chloro- and methyl-substituted benzoic acids by a genetically modified microorganism.
PubMed:[Effect of human serum albumin on transport of drugs through human erythrocyte membranes].
PubMed:Stability and Structure of Activated Macrocycles. Ligands with Biological Applications.
PubMed:Isolation and characterization of a novel toluene-degrading, sulfate-reducing bacterium.
PubMed:Separation and determination of some stereoisomers by capillary gel electrophoresis with cyclodextrin incorporated in polyacrylamide gel.
PubMed:[Comparative characteristics of membrane forms of aldehyde dehydrogenase].
PubMed:Cyclodextrin-enhanced degradation of toluene and p-toluic acid by Pseudomonas putida.
PubMed:Mathematical models of antisickling activities of benzoic acid derivatives on red blood cells of sicklers.
PubMed:Substituent contributions to the transport of substituted p-toluic acids across lipid bilayer membranes.
PubMed:Epimerization of the D-valine portion in the biosynthesis of actinomycin D.
PubMed:Simultaneous determination of (R)- and (S)-brefanolol in human plasma: high-performance liquid chromatographic assay on a chiral stationary phase.
PubMed:[Inhibition of aldehyde dehydrogenase activity in rat liver by cyclopropylethyl-containing benzoic acid amides].
PubMed:The initiation of peptide formation in the biosynthesis of actinomycin.
PubMed:Transport methods for probing the barrier domain of lipid bilayer membranes.
PubMed:Ligand specificity of human plasminogen kringle 4.
PubMed:Skin permeability to aromatic carboxylic acids: an in vitro comparison in pig ear, white mouse and brown mouse.
PubMed:Morphological and cytogenetical changes in HR-18 rat ascites cells after in vitro 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid (NSC-146171; IOB-82) administration.
PubMed:Bacterial metabolism of para- and meta-xylene: oxidation of a methyl substituent.
PubMed:In vitro and in vivo cytogenetic effects of 3-(bis(2-chloroethyl)amino)-4-methylbenzoic acid (NSC-146171; IOB 82) in human peripheral leukocytes.
PubMed:Gentisic acid and its 3- and 4-methyl-substituted homologoues as intermediates in the bacterial degradation of m-cresol, 3,5-xylenol and 2,5-xylenol.
PubMed:3-N,N-bis(2-chloroethylamino)p-toluic acid, a new cytostatic drug active in cancer.
PubMed:Microbial Hydrocarbon Co-oxidation. III. Isolation and Characterization of an alpha, alpha'-Dimethyl-cis, cis-Muconic Acid-producing Strain of Nocardia corallina.
PubMed:Potential anticancer agents. V. New aromatic nitrogen mustards related to 3-[N,N-bis(2-chloroethyl)amino]-4-methylbenzoic acid.
PubMed:Microbial hydrocarbon co-oxidation. I. Oxidation of mono- and dicyclic hydrocarbons by soil isolates of the genus Nocardia.
 
Notes:
Isol. from horseradish
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