O-TOLUIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8O2
Molecular Weight	136.1479
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=CC=C1C(O)=O

InChI

InChIKey=ZWLPBLYKEWSWPD-UHFFFAOYSA-N

InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula	C8H8O2
Molecular Weight	136.1479
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Analysis of the phase solubility diagram of a phenacetin/competitor/beta-cyclodextrin ternary system, involving competitive inclusion complexation.	2001 Jan	11201230
Cellular and subcellular localization of S-adenosyl-L-methionine:benzoic acid carboxyl methyltransferase, the enzyme responsible for biosynthesis of the volatile ester methylbenzoate in snapdragon flowers.	2001 Jul	11457946
2-(Hydroxycarbonyl)benzyl glycosides: a novel type of glycosyl donors for highly efficient beta-mannopyranosylation and oligosaccharide synthesis by latent-active glycosylation.	2001 Sep 5	11525654
Interaction between netropsin and double-stranded DNA in capillary zone electrophoresis and affinity capillary electrophoresis.	2002 Dec 27	12489885
Regulation of methylbenzoate emission after pollination in snapdragon and petunia flowers.	2003 Dec	14630969
An Arabidopsis thaliana gene for methylsalicylate biosynthesis, identified by a biochemical genomics approach, has a role in defense.	2003 Dec	14617060
Effects of the headspace gas composition on anaerobic biotransformation of o-, m-, and p-toluic acid in sediment slurries.	2003 Jun	12774912
Regulation of floral scent production in petunia revealed by targeted metabolomics.	2003 Mar	12590126
(E)-beta-ocimene and myrcene synthase genes of floral scent biosynthesis in snapdragon: function and expression of three terpene synthase genes of a new terpene synthase subfamily.	2003 May	12724546
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.	2004 Jan 15	14750740
Nucleophile selectivity in the acyl transfer reaction of a designed enzyme.	2005 Dec 15	16108014
Influence of sodium benzoate on the metabolism of o-xylene in the rat.	2005 May	16012080
Ethylene-regulated floral volatile synthesis in petunia corollas.	2005 May	15849311
Cyclohexenones as Michael acceptors in the Staunton-Weinreb annulation: a simple stannane modification for the synthesis of polycyclic systems.	2005 Nov 10	16268543
Chromatographic fingerprints of industrial toluic acids established for their quality control.	2007 Jan 15	19071298
Lactonization-mediated glycosylations and their application to oligosaccharide synthesis.	2008	18302265
Quantitative 1H NMR metabolomics reveals extensive metabolic reprogramming of primary and secondary metabolism in elicitor-treated opium poppy cell cultures.	2008 Jan 22	18211706
6-(2-Methyl-phen-yl)-3-(3,4,5-trimethoxy-phen-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.	2008 Jul 12	21203193
Floral scent of Canada thistle and its potential as a generic insect attractant.	2008 Jun	18613571
Photoionization of atmospheric aerosol constituents and precursors in the 7-15 eV energy region: experimental and theoretical study.	2008 Jun 12	18491885
Tetra-kis(μ-2-methyl-benzoato)bis-[(2-methyl-benzoic acid)copper(II)].	2008 Mar 14	21202010
Structure-composition relationships in ternary solvents containing methylbenzoate.	2008 Mar 20	18293957
Variability of enzyme system of Nocardioform bacteria as a basis of their metabolic activity.	2008 Mar-Apr	18368545
Flavour compounds in tomato fruits: identification of loci and potential pathways affecting volatile composition.	2009	19088332
catena-Poly[[trimethyltin(IV)]-μ-2-methylbenzoato-κO:O'].	2009 Dec 4	21579938
Total synthesis of the aspercyclides.	2009 Jun 8	19418521
Comparative morphology of the axial complex and interdependence of internal organ systems in sea urchins (Echinodermata: Echinoidea).	2009 Jun 9	19508706
Polystyrene bound oxidovanadium(IV) and dioxidovanadium(V) complexes of histamine derived ligand for the oxidation of methyl phenyl sulfide, diphenyl sulfide and benzoin.	2009 Mar 28	19274297
Anatomical branches of the superior rectal artery in the distal rectum.	2009 Nov	19175645
Tetra-kis(μ-2-methyl-benzoato-κO:O')bis-[(methanol-κO)copper(II)].	2010 Apr 17	21579022
Paraffin-embedded and frozen sections of Drosophila adult muscles.	2010 Dec 27	21206479
Methyl 3,5-bis-[(4-hydroxy-methyl-2-methoxy-phen-oxy)meth-yl]benzoate.	2010 Feb 27	21580441
Chloridotris[μ(2)-2-(dimethyl-amino)-ethano-lato]-μ(3)-hydroxido-tri-μ(2)-trifluoro-acetato-tetra-copper(II) tetra-hydro-furan solvate.	2010 Jun 18	21587732
catena-Poly[[(2-methyl-benzoato-κO,O')sodium]-di-μ-aqua-κO:O'].	2010 Mar 27	21580545
LiCl-Promoted Pd(II)-catalyzed ortho carbonylation of N,N-dimethylbenzylamines.	2010 Nov 21	20927430
Inhibition of Hsp90 with resorcylic acid macrolactones: synthesis and binding studies.	2010 Sep 10	20661961
Octa-methyl-bis-(μ(2)-2-methyl-benzoato-κO:O')bis-(2-methyl-benzoato-κO)di-μ(3)-oxido-tetra-tin(IV).	2010 Sep 18	21587414

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:14:16 GMT 2023` Edited by `admin` on `Fri Dec 15 18:14:16 GMT 2023`
Record UNII	9NR3033Y0U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-TOLUIC ACID

Common Name

English

NSC-2193

Code

English

2-METHYLBENZOIC ACID

Systematic Name

English

TOLUIC ACID, O-

Common Name

English

BENZOIC ACID, 2-METHYL-

Common Name

English

O-METHYLBENZOIC ACID

Systematic Name

English

O-TOLUIC ACID [MI]

Common Name

English

2-TOLUIC ACID

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

204-284-9