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 | C8H8O3 |
| Molecular Weight | 152.1473 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| 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 |
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 |
|---|---|---|
| Immuno-arrays for multianalyte analysis of chlorotriazines. | 2005 Jan 30 |
|
| Analytical methods of biological monitoring for exposure to pesticides: recent update. | 2007 Apr |
|
| Uptake of pesticides from water by curly waterweed Lagarosiphon major and lesser duckweed Lemna minor. | 2007 Aug |
|
| 2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists. | 2007 Aug 1 |
|
| Tetra-kis(μ-phenoxy-acetato-κO:O')bis-[(1,10-phenanthroline-κN,N')manganese(II)] methanol hemisolvate. | 2007 Dec 12 |
|
| Poly[[diaqua-nickel(II)]-μ(2)-4,4'-bipyridine-κN:N'-μ-p-phenyl-enedioxy-diacetato-κO:O']. | 2007 Dec 6 |
|
| Synthesis, characterization and antibacterial activity of azomethine derivatives derived from 2-formylphenoxyacetic acid. | 2007 Feb 22 |
|
| Synthesis and insect antifeedant activity of aurones against Spodoptera litura larvae. | 2007 Feb 7 |
|
| The role of laterally transferred genes in adaptive evolution. | 2007 Feb 8 |
|
| Superheated water extraction and phase transfer methylation of phenoxy acid herbicides from solid matrices. | 2007 Jun 8 |
|
| Discovery of novel phenoxyacetic acid derivatives as antimycobacterial agents. | 2007 Mar 1 |
|
| Synthesis, biological evaluation, and molecular modeling investigation of chiral phenoxyacetic acid analogues with PPARalpha and PPARgamma agonist activity. | 2007 May |
|
| Retention behavior of phenoxyacetic herbicides on a molecularly imprinted polymer with phenoxyacetic acid as a dummy template molecule. | 2007 Sep 15 |
|
| 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 |
|
| Ultra-pressure liquid chromatography-electrospray tandem mass spectrometry for multiresidue determination of pesticides in water. | 2008 Aug 22 |
|
| Variation of MCPA, metribuzine, methyltriazine-amine and glyphosate degradation, sorption, mineralization and leaching in different soil horizons. | 2008 Dec |
|
| Synthesis, determination of the lipophilicity, anticancer and antimicrobial properties of some fused 1,2,4-triazole derivatives. | 2008 Feb |
|
| Synthesis and characterization of molecularly imprinted polymers for phenoxyacetic acids. | 2008 Jan |
|
| FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids. | 2008 Jul |
|
| Direct analysis of tfdA gene expression by indigenous bacteria in phenoxy acid amended agricultural soil. | 2008 Jun |
|
| Uptake of 4-chloro-2-methylphenoxyacetic acid (MCPA) from the apical membrane of Caco-2 cells by the monocarboxylic acid transporter. | 2008 Mar 15 |
|
| Polydopamine-based permanent coating capillary electrochromatography for auxin determination. | 2008 Nov 28 |
|
| Development of relatively selective, chemically and mechanically robust solid-phase microextraction fibers based on methacrylic acid-trimethylolpropanetrimethacrylate co-polymers. | 2008 Oct 24 |
|
| Spatial variation in 2-methyl-4-chlorophenoxyacetic acid mineralization and sorption in a sandy soil at field level. | 2008 Sep-Oct |
|
| PPARδ activity in cardiovascular diseases: A potential pharmacological target. | 2009 |
|
| Automated potentiometric titrations in KCl/water-saturated octanol: method for quantifying factors influencing ion-pair partitioning. | 2009 Apr 1 |
|
| 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 Aug |
|
| Optimization of the dilute maleic acid pretreatment of wheat straw. | 2009 Dec 21 |
|
| Exploring and dissecting genome-wide gene expression responses of Penicillium chrysogenum to phenylacetic acid consumption and penicillinG production. | 2009 Feb 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 Jul |
|
| Allergic reaction induced by dermal and/or respiratory exposure to low-dose phenoxyacetic acid, organophosphorus, and carbamate pesticides. | 2009 Jul 10 |
|
| Hypersensitivity reactions to penicillins: studies in a group of patients with negative benzylpenicillin G skin test. | 2009 Jun |
|
| Synthesis and evaluation of in vitro antiviral activity of novel phenoxy acetic acid derivatives. | 2009 Jun |
|
| The University of Michigan Dioxin Exposure Study: predictors of human serum dioxin concentrations in Midland and Saginaw, Michigan. | 2009 May |
|
| Uptake of phenoxyacetic acid derivatives into Caco-2 cells by the monocarboxylic acid transporters. | 2009 Sep 10 |
|
| Selection of sorbent for removing pesticides during water treatment. | 2009 Sep 30 |
|
| Discovery of carboranes as inducers of 20S proteasome activity. | 2010 Aug 2 |
|
| Novel approaches to inhibition of gastric acid secretion. | 2010 Dec |
|
| 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 Dec |
|
| Prior exposure to organophosphorus and organochlorine pesticides increases the allergic potential of environmental chemical allergens in a local lymph node assay. | 2010 Dec 15 |
|
| 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 Feb |
|
| A new concept for reduction of diffuse contamination by simultaneous application of pesticide and pesticide-degrading microorganisms. | 2010 Feb |
|
| 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 Feb 3 |
|
| Synthesis of some new mono- and bis-polycyclic aromatic spiro and bis-nonspiro-beta-lactams. | 2010 Jan 22 |
|
| Impacts of stage-specific acute pesticide exposure on predicted population structure of the soft-shell clam, Mya arenaria. | 2010 Jul 1 |
|
| Decrease of intracellular pH as possible mechanism of embryotoxicity of glycol ether alkoxyacetic acid metabolites. | 2010 Jun 1 |
|
| A simple and sensitive HPLC method for quantification of the metabolin of meclofenoxate in human plasma. | 2010 May-Jun |
|
| 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 Nov 24 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 07:09:28 GMT 2023
by
admin
on
Sat Dec 16 07:09:28 GMT 2023
|
| Record UNII |
2LC66O3HWF
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
313222-85-4
Created by
admin on Sat Dec 16 07:09:28 GMT 2023 , Edited by admin on Sat Dec 16 07:09:28 GMT 2023
|
PRIMARY | |||
|
2LC66O3HWF
Created by
admin on Sat Dec 16 07:09:28 GMT 2023 , Edited by admin on Sat Dec 16 07:09:28 GMT 2023
|
PRIMARY | |||
|
23680489
Created by
admin on Sat Dec 16 07:09:28 GMT 2023 , Edited by admin on Sat Dec 16 07:09:28 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
