Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H7O3.Na.H2O |
| Molecular Weight | 192.1444 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Na+].[O-]C(=O)COC1=CC=CC=C1
InChI
InChIKey=MEQSSBKFRRPKBI-UHFFFAOYSA-M
InChI=1S/C8H8O3.Na.H2O/c9-8(10)6-11-7-4-2-1-3-5-7;;/h1-5H,6H2,(H,9,10);;1H2/q;+1;/p-1
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | HO |
| Molecular Weight | 17.0073 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.1473 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: Description was created based on several sources, including
http://www.hmdb.ca/metabolites/HMDB31609 and http://www.ncbi.nlm.nih.gov/pubmed/9454687
Curator's Comment: Description was created based on several sources, including
http://www.hmdb.ca/metabolites/HMDB31609 and http://www.ncbi.nlm.nih.gov/pubmed/9454687
Phenoxyacetic acid is found in cocoa and cocoa products. Phenoxyacetic acid is a flavouring ingredient. Phenoxyacetic acid is on the FDA list of approved food additives (PART 172 - FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION; Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.). Research has shown that Phenoxyacetic acid induced hematopoietic cell proliferation, providing potential for oral therapeutics which stimulate proliferation of hematopoietic cells of multiple lineages, as well as inducing fetal globin, important for therapy of hemoglobinopathies.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Prior exposure to organophosphorus and organochlorine pesticides increases the allergic potential of environmental chemical allergens in a local lymph node assay. | 2010-12-15 |
|
| Novel approaches to inhibition of gastric acid secretion. | 2010-12 |
|
| The use of in vitro toxicity data and physiologically based kinetic modeling to predict dose-response curves for in vivo developmental toxicity of glycol ethers in rat and man. | 2010-12 |
|
| Comparative transcriptome profiling analyses during the lag phase uncover YAP1, PDR1, PDR3, RPN4, and HSF1 as key regulatory genes in genomic adaptation to the lignocellulose derived inhibitor HMF for Saccharomyces cerevisiae. | 2010-11-24 |
|
| Discovery of carboranes as inducers of 20S proteasome activity. | 2010-08-02 |
|
| Impacts of stage-specific acute pesticide exposure on predicted population structure of the soft-shell clam, Mya arenaria. | 2010-07-01 |
|
| A simple and sensitive HPLC method for quantification of the metabolin of meclofenoxate in human plasma. | 2010-06-03 |
|
| Decrease of intracellular pH as possible mechanism of embryotoxicity of glycol ether alkoxyacetic acid metabolites. | 2010-06-01 |
|
| Liquid chromatography with post-column reagent addition of ammonia in methanol coupled to negative ion electrospray ionization tandem mass spectrometry for determination of phenoxyacid herbicides and their degradation products in surface water. | 2010-02-03 |
|
| Biomonitoring data for 2,4-dichlorophenoxyacetic acid in the United States and Canada: interpretation in a public health risk assessment context using Biomonitoring Equivalents. | 2010-02 |
|
| A new concept for reduction of diffuse contamination by simultaneous application of pesticide and pesticide-degrading microorganisms. | 2010-02 |
|
| Synthesis of some new mono- and bis-polycyclic aromatic spiro and bis-nonspiro-beta-lactams. | 2010-01-22 |
|
| Optimization of the dilute maleic acid pretreatment of wheat straw. | 2009-12-21 |
|
| Selection of sorbent for removing pesticides during water treatment. | 2009-09-30 |
|
| Uptake of phenoxyacetic acid derivatives into Caco-2 cells by the monocarboxylic acid transporters. | 2009-09-10 |
|
| Causes and types of health effects during the use of crop protection chemicals: data from a survey of over 6,300 smallholder applicators in 24 different countries. | 2009-08 |
|
| Allergic reaction induced by dermal and/or respiratory exposure to low-dose phenoxyacetic acid, organophosphorus, and carbamate pesticides. | 2009-07-10 |
|
| Relative developmental toxicity of glycol ether alkoxy acid metabolites in the embryonic stem cell test as compared with the in vivo potency of their parent compounds. | 2009-07 |
|
| Hypersensitivity reactions to penicillins: studies in a group of patients with negative benzylpenicillin G skin test. | 2009-06 |
|
| Synthesis and evaluation of in vitro antiviral activity of novel phenoxy acetic acid derivatives. | 2009-06 |
|
| The University of Michigan Dioxin Exposure Study: predictors of human serum dioxin concentrations in Midland and Saginaw, Michigan. | 2009-05 |
|
| Automated potentiometric titrations in KCl/water-saturated octanol: method for quantifying factors influencing ion-pair partitioning. | 2009-04-01 |
|
| Exploring and dissecting genome-wide gene expression responses of Penicillium chrysogenum to phenylacetic acid consumption and penicillinG production. | 2009-02-10 |
|
| PPARδ activity in cardiovascular diseases: A potential pharmacological target. | 2009 |
|
| Variation of MCPA, metribuzine, methyltriazine-amine and glyphosate degradation, sorption, mineralization and leaching in different soil horizons. | 2008-12 |
|
| Polydopamine-based permanent coating capillary electrochromatography for auxin determination. | 2008-11-28 |
|
| Development of relatively selective, chemically and mechanically robust solid-phase microextraction fibers based on methacrylic acid-trimethylolpropanetrimethacrylate co-polymers. | 2008-10-24 |
|
| Ultra-pressure liquid chromatography-electrospray tandem mass spectrometry for multiresidue determination of pesticides in water. | 2008-08-22 |
|
| Spatial variation in 2-methyl-4-chlorophenoxyacetic acid mineralization and sorption in a sandy soil at field level. | 2008-08-12 |
|
| FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids. | 2008-07 |
|
| Direct analysis of tfdA gene expression by indigenous bacteria in phenoxy acid amended agricultural soil. | 2008-06 |
|
| Uptake of 4-chloro-2-methylphenoxyacetic acid (MCPA) from the apical membrane of Caco-2 cells by the monocarboxylic acid transporter. | 2008-03-15 |
|
| Synthesis, determination of the lipophilicity, anticancer and antimicrobial properties of some fused 1,2,4-triazole derivatives. | 2008-02 |
|
| Synthesis and characterization of molecularly imprinted polymers for phenoxyacetic acids. | 2008-01 |
|
| PPAR-delta in Vascular Pathophysiology. | 2008 |
|
| Structural Development Studies of Subtype-Selective Ligands for Peroxisome Proliferator-Activated Receptors (PPARs) Based on the 3,4-Disubstituted Phenylpropanoic Acid Scaffold as a Versatile Template. | 2008 |
|
| Analysis of phenoxyacetic acid herbicides as biomarkers in human urine using liquid chromatography/triple quadrupole mass spectrometry. | 2008 |
|
| Tetra-kis(μ-phenoxy-acetato-κO:O')bis-[(1,10-phenanthroline-κN,N')manganese(II)] methanol hemisolvate. | 2007-12-12 |
|
| Poly[[diaqua-nickel(II)]-μ(2)-4,4'-bipyridine-κN:N'-μ-p-phenyl-enedioxy-diacetato-κO:O']. | 2007-12-06 |
|
| Retention behavior of phenoxyacetic herbicides on a molecularly imprinted polymer with phenoxyacetic acid as a dummy template molecule. | 2007-09-15 |
|
| 2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists. | 2007-08-01 |
|
| Uptake of pesticides from water by curly waterweed Lagarosiphon major and lesser duckweed Lemna minor. | 2007-08 |
|
| Superheated water extraction and phase transfer methylation of phenoxy acid herbicides from solid matrices. | 2007-06-08 |
|
| Synthesis, biological evaluation, and molecular modeling investigation of chiral phenoxyacetic acid analogues with PPARalpha and PPARgamma agonist activity. | 2007-05 |
|
| Analytical methods of biological monitoring for exposure to pesticides: recent update. | 2007-04 |
|
| Discovery of novel phenoxyacetic acid derivatives as antimycobacterial agents. | 2007-03-01 |
|
| Synthesis, characterization and antibacterial activity of azomethine derivatives derived from 2-formylphenoxyacetic acid. | 2007-02-22 |
|
| The role of laterally transferred genes in adaptive evolution. | 2007-02-08 |
|
| Synthesis and insect antifeedant activity of aurones against Spodoptera litura larvae. | 2007-02-07 |
|
| Immuno-arrays for multianalyte analysis of chlorotriazines. | 2005-01-30 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:40:17 GMT 2025
by
admin
on
Mon Mar 31 21:40:17 GMT 2025
|
| Record UNII |
2LC66O3HWF
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Name | Type | Language | ||
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Systematic Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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313222-85-4
Created by
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2LC66O3HWF
Created by
admin on Mon Mar 31 21:40:17 GMT 2025 , Edited by admin on Mon Mar 31 21:40:17 GMT 2025
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23680489
Created by
admin on Mon Mar 31 21:40:17 GMT 2025 , Edited by admin on Mon Mar 31 21:40:17 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
