Basic Info

Common NameSodium 2-(4-methoxyphenoxy)propionate(F11624)
2D Structure
Description

CASrn in Register refers to the racemate.

FRCD IDF11624
CAS Number13794-15-5
PubChem CID23670520
FormulaC10H11NaO4
IUPAC Name

sodium;2-(4-methoxyphenoxy)propanoate

InChI Key

SKORRGYRKQDXRS-UHFFFAOYSA-M

InChI

InChI=1S/C10H12O4.Na/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1

Canonical SMILES

CC(C(=O)[O-])OC1=CC=C(C=C1)OC.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=C(C=C1)OC.[Na+]

Synonyms
        
            Sodium 2-(4-methoxyphenoxy)propanoate
        
            lactisole
        
            150436-68-3
        
            150767-88-7
        
            Propanoic acid,2-(4-methoxyphenoxy)-, sodium salt (1:1)
        
            Sodium 2-(4-methoxyphenoxy)propanoic acid
        
            Envision
        
            FEMA No. 3773
        
            2-(4-methoxyphenoxye
        
            Propanoic acid, 2-(4-methoxyphenoxy)-, sodium salt
        
Classifies
                

                  
                    Predicted: Pesticide
                  

                
        
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
Subclass2-phenoxypropionic acids
Intermediate Tree NodesNot available
Direct ParentAlkyloxyphenoxypropionic acids
Alternative Parents
Molecular FrameworkAromatic homomonocyclic compounds
SubstituentsAlkyloxyphenoxypropionic acid - Phenoxyacetate - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyloxyphenoxypropionic acids. These are aromatic compounds containing a phenoxypropionic acid that is para-substituted with an alkyl group.

Properties

Property NameProperty Value
Molecular Weight218.184
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Complexity190
Monoisotopic Mass218.056
Exact Mass218.056
Formal Charge0
Heavy Atom Count15
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

References

TitleJournalDatePubmed ID
Human Sweet Receptor T1R3 is Functional in Human Gastric Parietal Tumor Cells(HGT-1) and Modulates Cyclamate and Acesulfame K-Induced Mechanisms of GastricAcid Secretion.J Agric Food Chem2018 May 1629665689
Differential modulation of the lactisole 'Sweet Water Taste' by sweeteners.PLoS One2017 Jul 1028700634
Modulation of sweet taste by umami compounds via sweet taste receptor subunithT1R2.PLoS One2015 Apr 825853419
Molecular mechanisms for sweet-suppressing effect of gymnemic acids.J Biol Chem2014 Sep 1225056955
Dietary lipids and sweeteners regulate glucagon-like peptide-2 secretion.Am J Physiol Gastrointest Liver Physiol2013 Apr 1523370677
Functional characterization of the heterodimeric sweet taste receptor T1R2 andT1R3 from a New World monkey species (squirrel monkey) and its response tosweet-tasting proteins.Biochem Biophys Res Commun2012 Oct 1923000410
The role of the gut sweet taste receptor in regulating GLP-1, PYY, and CCKrelease in humans.Am J Physiol Endocrinol Metab2011 Aug21540445
Interactions of the sweet-tasting proteins thaumatin and lysozyme with the human sweet-taste receptor.J Agric Food Chem2009 Jul 819489607
The sweet taste quality is linked to a cluster of taste fibers in primates:lactisole diminishes preference and responses to sweet in S fibers (sweet best)chorda tympani fibers of M. fascicularis monkey.BMC Physiol2009 Feb 1819224647
The liaison of sweet and savory.Chem Senses2006 Mar16384922
Neoculin, a taste-modifying protein, is recognized by human sweet taste receptor.Neuroreport2006 Aug 2116951562
The heterodimeric sweet taste receptor has multiple potential ligand bindingsites.Curr Pharm Des200617168764
Valine 738 and lysine 735 in the fifth transmembrane domain of rTas1r3 mediateinsensitivity towards lactisole of the rat sweet taste receptor.BMC Neurosci2005 Apr 715817126
Bitter taste receptors for saccharin and acesulfame K.J Neurosci2004 Nov 1015537898