99-04-7,MFCD00002523
Catalog No.:AA003S3M

99-04-7 | m-Toluic acid

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25g
98%(HPLC)
in stock  
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100g
98%(HPLC)
in stock  
$43.00   $30.00
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250g
≥ 99% (Assay)
in stock  
$63.00   $44.00
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500g
98%(HPLC)
in stock  
$75.00   $53.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003S3M
Chemical Name:
m-Toluic acid
CAS Number:
99-04-7
Molecular Formula:
C8H8O2
Molecular Weight:
136.1479
MDL Number:
MFCD00002523
SMILES:
Cc1cccc(c1)C(=O)O
NSC Number:
2214
Properties
Properties
 
BP:
263.8 °C at 760 mmHg  
Form:
Solid  
MP:
108 °C  
Refractive Index:
1.509  
Solubility:
Soluble in alcohol and ether.  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
131  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Literature

Title: Stochasticity of TOL plasmid catabolic promoters sets a bimodal expression regime in Pseudomonas putida mt-2 exposed to m-xylene.

Journal: Molecular microbiology 20121001

Title: Bis(2,2'-bipyridine-κ(2)N,N')(3-methyl-benzoato-κ(2)O,O')zinc 3-methyl-benzo-ate-3-methyl-benzoic acid-water (1/1/2).

Journal: Acta crystallographica. Section E, Structure reports online 20120901

Title: Broadening the signal specificity of prokaryotic promoters by modifying cis-regulatory elements associated with a single transcription factor.

Journal: Molecular bioSystems 20120706

Title: Vibrational spectroscopic studies, molecular orbital calculations and chemical reactivity of 6-nitro-m-toluic acid.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120615

Title: Simultaneous determination of nine related substances in p-phthalic acid residue by RP-HPLC.

Journal: Journal of chromatographic science 20120501

Title: N-(3-Methyl-benzo-yl)benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20120501

Title: catena-Poly[[bis-(3-methyl-benzoato-κO,O')lead(II)]-μ-4,4'-bipyridine-κN:N'].

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: Efficacy of Advanced Odomos repellent cream (N, N-diethyl-benzamide) against mosquito vectors.

Journal: The Indian journal of medical research 20110401

Title: Comparative genomics and functional analysis of niche-specific adaptation in Pseudomonas putida.

Journal: FEMS microbiology reviews 20110301

Title: Redetermination of 3-methyl-benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20110301

Title: Efficient production of soluble recombinant single chain Fv fragments by a Pseudomonas putida strain KT2440 cell factory.

Journal: Microbial cell factories 20110101

Title: The logic layout of the TOL network of Pseudomonas putida pWW0 plasmid stems from a metabolic amplifier motif (MAM) that optimizes biodegradation of m-xylene.

Journal: BMC systems biology 20110101

Title: [rac-2-(1-Amino-eth-yl)phenyl-κC,N](ethyl-endiamine-κN,N')palladium(II) 3-methyl-benzoate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: Mineralization of PCBs by the genetically modified strain Cupriavidus necator JMS34 and its application for bioremediation of PCBs in soil.

Journal: Applied microbiology and biotechnology 20100701

Title: A method for selecting cis-acting regulatory sequences that respond to small molecule effectors.

Journal: BMC molecular biology 20100101

Title: catena-Poly[[trimethyltin(IV)]-μ-2-methylbenzoato-κO:O'].

Journal: Acta crystallographica. Section E, Structure reports online 20100101

Title: Cyclodextrin-functionalized polyethylene and polypropylene as biocompatible materials for diclofenac delivery.

Journal: International journal of pharmaceutics 20091201

Title: Two two-dimensional hydrogen-bonded coordination networks: bis(3-carboxybenzoato-kappaO)bis(4-methyl-1H-imidazole-kappaN3)copper(II) and bis(3-methylbenzoato-kappaN)bis(4-methyl-1H-imidazole-kappaN3)copper(II) monohydrate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20091201

Title: Diaqua-bis(2,2'-bi-1H-imidazole-κN,N)nickel(II) bis-(3-methyl-benzoate) 3-methyl-benzoic acid disolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: Effects of ligand composition on the oxidative carbonylation of toluene to toluic acid catalyzed by Rh(III) complexes.

Journal: Journal of the American Chemical Society 20090812

Title: catena-Poly[[aqua-(3-methyl-benzoato-κO,O')lead(II)]-μ-3-methyl-benzoato-κO:O,O':O'].

Journal: Acta crystallographica. Section E, Structure reports online 20090701

Title: 5-(2-Methyl-phen-yl)-1,3,4-thia-diazol-2-amine.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: Tetramethyl-m-benziporphodimethene and isomeric alpha,beta-unsaturated gamma-lactam embedded N-confused tetramethyl-m-benziporphodimethenes.

Journal: Chemistry, an Asian journal 20090105

Title: Synthesis and activity against HBV of novel Tetra-seconucleoside analogues of dyphlline having the acyclic chains of ACV and HBG.

Journal: Nucleosides, nucleotides & nucleic acids 20080301

Title: Chromatographic fingerprints of industrial toluic acids established for their quality control.

Journal: Talanta 20070115

Title: N,N-diethyl phenylacetamide (DEPA): A safe and effective repellent for personal protection against hematophagous arthropods.

Journal: Journal of medical entomology 20060501

Title: Transcriptional tradeoff between metabolic and stress-response programs in Pseudomonas putida KT2440 cells exposed to toluene.

Journal: The Journal of biological chemistry 20060428

Title: Genetic diversity of culturable bacteria in oil-contaminated rhizosphere of Galega orientalis.

Journal: Environmental pollution (Barking, Essex : 1987) 20060101

Title: Molecular characterization of cytochrome P450 catalyzing hydroxylation of benzoates from the white-rot fungus Phanerochaete chrysosporium.

Journal: Biochemical and biophysical research communications 20050909

Title: Toluene-degrading Antarctic Pseudomonas strains from fuel-contaminated soil.

Journal: Biochemical and biophysical research communications 20031205

Title: Effects of the headspace gas composition on anaerobic biotransformation of o-, m-, and p-toluic acid in sediment slurries.

Journal: Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20030601

Title: Implication of two glutathione S-transferases in the optimal metabolism of m-toluate by Sphingomonas yanoikuyae B1.

Journal: Antonie van Leeuwenhoek 20030101

Title: Determination of aromatic acids and nitrophenols in atmospheric aerosols by capillary electrophoresis.

Journal: Journal of chromatographic science 20020401

Title: Synthesis of aromatic nitrogen mustard agents and analysis of their alkylation activity at physiological pH and temperature.

Journal: Physiological chemistry and physics and medical NMR 20020101

Title: Simultaneous determination of malathion, permethrin, DEET (N,N-diethyl-m-toluamide), and their metabolites in rat plasma and urine using high performance liquid chromatography.

Journal: Journal of pharmaceutical and biomedical analysis 20010901

Title: High performance liquid chromatographic determination of diazinon, permethrin, DEET (N, N-diethyl-m-toluamide), and their metabolites in rat plasma and urine.

Journal: Fresenius' journal of analytical chemistry 20010601

Title: Development of a high-performance liquid chromatographic method for the quantification of chlorpyrifos, pyridostigmine bromide, N,N-diethyl-m-toluamide and their metabolites in rat plasma and urine.

Journal: Journal of chromatography. B, Biomedical sciences and applications 20010425

Title: Signature metabolites attesting to the in situ attenuation of alkylbenzenes in anaerobic environments.

Journal: Environmental science & technology 20010215

Title: Isolation of a benzoate-utilizing Pseudomonas strain from soil and production of catechol from benzoate by transpositional mutants.

Journal: Microbiological research 20010101

Title: [Effect of human serum albumin on transport of drugs through human erythrocyte membranes].

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 19960801

Title: Nondisruptive detection of activity of catabolic promoters of Pseudomonas putida with an antigenic surface reporter system.

Journal: Applied and environmental microbiology 19960101

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Historical Records
Tags:99-04-7 Molecular Formula|99-04-7 MDL|99-04-7 SMILES|99-04-7 m-Toluic acid
Catalog No.: AA003S3M
99-04-7,MFCD00002523
99-04-7 | m-Toluic acid
Pack Size: 25g
Purity: 98%(HPLC)
in stock
$24.00 $17.00
Pack Size: 100g
Purity: 98%(HPLC)
in stock
$43.00 $30.00
Pack Size: 250g
Purity: ≥ 99% (Assay)
in stock
$63.00 $44.00
Pack Size: 500g
Purity: 98%(HPLC)
in stock
$75.00 $53.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003S3M
Chemical Name: m-Toluic acid
CAS Number: 99-04-7
Molecular Formula: C8H8O2
Molecular Weight: 136.1479
MDL Number: MFCD00002523
SMILES: Cc1cccc(c1)C(=O)O
NSC Number: 2214
Properties
BP: 263.8 °C at 760 mmHg  
Form: Solid  
MP: 108 °C  
Refractive Index: 1.509  
Solubility: Soluble in alcohol and ether.  
Storage: Keep in dry area;Room Temperature;  
Complexity: 131  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Literature fold

Title: Stochasticity of TOL plasmid catabolic promoters sets a bimodal expression regime in Pseudomonas putida mt-2 exposed to m-xylene.

Journal: Molecular microbiology20121001

Title: Bis(2,2'-bipyridine-κ(2)N,N')(3-methyl-benzoato-κ(2)O,O')zinc 3-methyl-benzo-ate-3-methyl-benzoic acid-water (1/1/2).

Journal: Acta crystallographica. Section E, Structure reports online20120901

Title: Broadening the signal specificity of prokaryotic promoters by modifying cis-regulatory elements associated with a single transcription factor.

Journal: Molecular bioSystems20120706

Title: Vibrational spectroscopic studies, molecular orbital calculations and chemical reactivity of 6-nitro-m-toluic acid.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy20120615

Title: Simultaneous determination of nine related substances in p-phthalic acid residue by RP-HPLC.

Journal: Journal of chromatographic science20120501

Title: N-(3-Methyl-benzo-yl)benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online20120501

Title: catena-Poly[[bis-(3-methyl-benzoato-κO,O')lead(II)]-μ-4,4'-bipyridine-κN:N'].

Journal: Acta crystallographica. Section E, Structure reports online20111001

Title: Efficacy of Advanced Odomos repellent cream (N, N-diethyl-benzamide) against mosquito vectors.

Journal: The Indian journal of medical research20110401

Title: Comparative genomics and functional analysis of niche-specific adaptation in Pseudomonas putida.

Journal: FEMS microbiology reviews20110301

Title: Redetermination of 3-methyl-benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online20110301

Title: Efficient production of soluble recombinant single chain Fv fragments by a Pseudomonas putida strain KT2440 cell factory.

Journal: Microbial cell factories20110101

Title: The logic layout of the TOL network of Pseudomonas putida pWW0 plasmid stems from a metabolic amplifier motif (MAM) that optimizes biodegradation of m-xylene.

Journal: BMC systems biology20110101

Title: [rac-2-(1-Amino-eth-yl)phenyl-κC,N](ethyl-endiamine-κN,N')palladium(II) 3-methyl-benzoate monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online20100801

Title: Mineralization of PCBs by the genetically modified strain Cupriavidus necator JMS34 and its application for bioremediation of PCBs in soil.

Journal: Applied microbiology and biotechnology20100701

Title: A method for selecting cis-acting regulatory sequences that respond to small molecule effectors.

Journal: BMC molecular biology20100101

Title: catena-Poly[[trimethyltin(IV)]-μ-2-methylbenzoato-κO:O'].

Journal: Acta crystallographica. Section E, Structure reports online20100101

Title: Cyclodextrin-functionalized polyethylene and polypropylene as biocompatible materials for diclofenac delivery.

Journal: International journal of pharmaceutics20091201

Title: Two two-dimensional hydrogen-bonded coordination networks: bis(3-carboxybenzoato-kappaO)bis(4-methyl-1H-imidazole-kappaN3)copper(II) and bis(3-methylbenzoato-kappaN)bis(4-methyl-1H-imidazole-kappaN3)copper(II) monohydrate.

Journal: Acta crystallographica. Section C, Crystal structure communications20091201

Title: Diaqua-bis(2,2'-bi-1H-imidazole-κN,N)nickel(II) bis-(3-methyl-benzoate) 3-methyl-benzoic acid disolvate.

Journal: Acta crystallographica. Section E, Structure reports online20091201

Title: Effects of ligand composition on the oxidative carbonylation of toluene to toluic acid catalyzed by Rh(III) complexes.

Journal: Journal of the American Chemical Society20090812

Title: catena-Poly[[aqua-(3-methyl-benzoato-κO,O')lead(II)]-μ-3-methyl-benzoato-κO:O,O':O'].

Journal: Acta crystallographica. Section E, Structure reports online20090701

Title: 5-(2-Methyl-phen-yl)-1,3,4-thia-diazol-2-amine.

Journal: Acta crystallographica. Section E, Structure reports online20090501

Title: Tetramethyl-m-benziporphodimethene and isomeric alpha,beta-unsaturated gamma-lactam embedded N-confused tetramethyl-m-benziporphodimethenes.

Journal: Chemistry, an Asian journal20090105

Title: Synthesis and activity against HBV of novel Tetra-seconucleoside analogues of dyphlline having the acyclic chains of ACV and HBG.

Journal: Nucleosides, nucleotides & nucleic acids20080301

Title: Chromatographic fingerprints of industrial toluic acids established for their quality control.

Journal: Talanta20070115

Title: N,N-diethyl phenylacetamide (DEPA): A safe and effective repellent for personal protection against hematophagous arthropods.

Journal: Journal of medical entomology20060501

Title: Transcriptional tradeoff between metabolic and stress-response programs in Pseudomonas putida KT2440 cells exposed to toluene.

Journal: The Journal of biological chemistry20060428

Title: Genetic diversity of culturable bacteria in oil-contaminated rhizosphere of Galega orientalis.

Journal: Environmental pollution (Barking, Essex : 1987)20060101

Title: Molecular characterization of cytochrome P450 catalyzing hydroxylation of benzoates from the white-rot fungus Phanerochaete chrysosporium.

Journal: Biochemical and biophysical research communications20050909

Title: Toluene-degrading Antarctic Pseudomonas strains from fuel-contaminated soil.

Journal: Biochemical and biophysical research communications20031205

Title: Effects of the headspace gas composition on anaerobic biotransformation of o-, m-, and p-toluic acid in sediment slurries.

Journal: Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering20030601

Title: Implication of two glutathione S-transferases in the optimal metabolism of m-toluate by Sphingomonas yanoikuyae B1.

Journal: Antonie van Leeuwenhoek20030101

Title: Determination of aromatic acids and nitrophenols in atmospheric aerosols by capillary electrophoresis.

Journal: Journal of chromatographic science20020401

Title: Synthesis of aromatic nitrogen mustard agents and analysis of their alkylation activity at physiological pH and temperature.

Journal: Physiological chemistry and physics and medical NMR20020101

Title: Simultaneous determination of malathion, permethrin, DEET (N,N-diethyl-m-toluamide), and their metabolites in rat plasma and urine using high performance liquid chromatography.

Journal: Journal of pharmaceutical and biomedical analysis20010901

Title: High performance liquid chromatographic determination of diazinon, permethrin, DEET (N, N-diethyl-m-toluamide), and their metabolites in rat plasma and urine.

Journal: Fresenius' journal of analytical chemistry20010601

Title: Development of a high-performance liquid chromatographic method for the quantification of chlorpyrifos, pyridostigmine bromide, N,N-diethyl-m-toluamide and their metabolites in rat plasma and urine.

Journal: Journal of chromatography. B, Biomedical sciences and applications20010425

Title: Signature metabolites attesting to the in situ attenuation of alkylbenzenes in anaerobic environments.

Journal: Environmental science & technology20010215

Title: Isolation of a benzoate-utilizing Pseudomonas strain from soil and production of catechol from benzoate by transpositional mutants.

Journal: Microbiological research20010101

Title: [Effect of human serum albumin on transport of drugs through human erythrocyte membranes].

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan19960801

Title: Nondisruptive detection of activity of catabolic promoters of Pseudomonas putida with an antigenic surface reporter system.

Journal: Applied and environmental microbiology19960101

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