Methyl Benzoate

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

COC(=O)C1=CC=CC=C1

InChI

InChIKey=QPJVMBTYPHYUOC-UHFFFAOYSA-N

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

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
Aerobic oxidation of lignin models using a base metal vanadium catalyst.	2010-06-21	20491453
Chemoenzymatic synthesis of carbasugars (+)-pericosines A-C from diverse aromatic cis-dihydrodiol precursors.	2010-05-21	20411952
Prolonged stimulus exposure reveals prolonged neurobehavioral response patterns.	2010-05-15	20232477
Dystroglycan and mitochondrial ribosomal protein L34 regulate differentiation in the Drosophila eye.	2010-05-05	20463973
Nematicidal natural products from the aerial parts of Buddleja crispa.	2010-05	20461624
The herbivore-induced plant volatile methyl salicylate negatively affects attraction of the parasitoid Diadegma semiclausum.	2010-05	20407809
Biosynthesis and emission of insect-induced methyl salicylate and methyl benzoate from rice.	2010-04	20199866
Chemoenzymatic synthesis of the carbasugars carba-beta-L-galactopyranose, carba-beta-L-talopyranose and carba-alpha-L-talopyranose from methyl benzoate.	2010-03-21	20204216
Enzymatic, expression and structural divergences among carboxyl O-methyltransferases after gene duplication and speciation in Nicotiana.	2010-02	19936944
Going beyond histology. Synchrotron micro-computed tomography as a methodology for biological tissue characterization: from tissue morphology to individual cells.	2010-01-06	19324670
Synthesis of (+/-)-6-O-methyl and 7-demethylannulatomarin.	2010-01	20390748
Reactions of ionized methyl benzoate with methyl isocyanide in the gas phase: nucleophilic aromatic substitutions vs hydrogen migrations.	2009-10-15	19810759
Field attractants for Pachnoda interrupta selected by means of GC-EAD and single sensillum screening.	2009-09	19768509
SAM levels, gene expression of SAM synthetase, methionine synthase and ACC oxidase, and ethylene emission from N. suaveolens flowers.	2009-07	19396585
Floral and insect-induced volatile formation in Arabidopsis lyrata ssp. petraea, a perennial, outcrossing relative of A. thaliana.	2009-06	19322583
Digital, Three-dimensional Average Shaped Atlas of the Heliothis Virescens Brain with Integrated Gustatory and Olfactory Neurons.	2009	19949481
Immunohistochemical characterisation of cell-type specific expression of CK1delta in various tissues of young adult BALB/c mice.	2009	19137063
Flavour compounds in tomato fruits: identification of loci and potential pathways affecting volatile composition.	2009	19088332
Unimolecular dissociation reactions of methyl benzoate radical cation.	2008-11-20	18942817
Assessment of matrix effects on methyl benzoate, a potential biomarker for detection of outgassed semi-volatiles from mold in indoor building materials.	2008-11	18777146
Overexpression of the apple alcohol acyltransferase gene alters the profile of volatile blends in transgenic tobacco leaves.	2008-11	18636987
Simultaneous determination of 21 preservatives in cosmetics by ultra performance liquid chromatography.	2008-10	18822043
Headspace sampling and detection of cocaine, MDMA, and marijuana via volatile markers in the presence of potential interferences by solid phase microextraction-ion mobility spectrometry (SPME-IMS).	2008-09	18600317
Yeast cell factories for fine chemical and API production.	2008-08-07	18684335
[Analysis and isolation of radical scavengers from metabolites of Hirsutella sp].	2008-08	18956752
Analysis of expressed sequence tags from Actinidia: applications of a cross species EST database for gene discovery in the areas of flavor, health, color and ripening.	2008-07-27	18655731
New polyphenolic beta-lactams with antioxidant activity.	2008-05	18493967
Solvent effects on the three-photon absorption of a symmetric charge-transfer molecule.	2008-04-17	18355067
Rapid encoding and perception of novel odors in the rat.	2008-04-08	18399719
Enzyme-catalysed synthesis and reactions of benzene oxide/oxepine derivatives of methyl benzoates.	2008-04-07	18362966
UV-absorbance detector for HPLC based on a light-emitting diode.	2008-04	18365115
Intermolecular hydroaminations via strained (E)-cycloalkenes.	2008-02-01	18161984
Phenolic and other constituents of fresh water fern Salvinia molesta.	2008-02	18177906
Methyl salicylate, identified as primary odorant of a specific receptor neuron type, inhibits oviposition by the moth Mamestra brassicae L. (Lepidoptera, noctuidae).	2008-01	17846100
Module assembly for protein-surface recognition: geranylgeranyltransferase I bivalent inhibitors for simultaneous targeting of interior and exterior protein surfaces.	2008	18200641
Vibrational spectra and fundamental structural assignments from HF and DFT calculations of methyl benzoate.	2007-11	17433769
Regulation of simultaneous synthesis of floral scent terpenoids by the 1,8-cineole synthase of Nicotiana suaveolens.	2007-09	17611797
Positive selection for single amino acid change promotes substrate discrimination of a plant volatile-producing enzyme.	2007-06	17374877
The floral volatile, methyl benzoate, from snapdragon (Antirrhinum majus) triggers phytotoxic effects in Arabidopsis thaliana.	2007-06	17216481
Overexpression of salicylic acid carboxyl methyltransferase reduces salicylic acid-mediated pathogen resistance in Arabidopsis thaliana.	2007-05	17364223
Antibacterial potential assessment of jasmine essential oil against e. Coli.	2007-03-12	20046722
Changes in volatile production during the course of fungal mycelial interactions between Hypholoma fasciculare and Resinicium bicolor.	2007-01	17146718
Pi-Pi complexation of bupivacaine and analogues with aromatic receptors: implications for overdose remediation.	2007	18019843
NF-kappaB inhibitor dehydroxymethylepoxyquinomicin suppresses osteoclastogenesis and expression of NFATc1 in mouse arthritis without affecting expression of RANKL, osteoprotegerin or macrophage colony-stimulating factor.	2007	17892600
Floral scent diversity is differently expressed in emitted and endogenous components in Petunia axillaris lines.	2006-12	17060364
Surgical treatment and histopathology of different forms of olecranon and presternal bursitis in cattle and buffalo.	2006-09	16871025
[Joint toxicity on multi-component mixtures of SDS and substituted aromatic compounds].	2006-08	17111627
An evaluation of the allelopathic potential of selected perennial groundcovers: foliar volatiles of catmint (Nepeta x faassenii) inhibit seedling growth.	2006-08	16900434
AtMND1 is required for homologous pairing during meiosis in Arabidopsis.	2006-07-27	16872528
Stability of benzoyl peroxide in methyl alcohol.	2006-06	16916233

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:53:26 GMT 2025` Edited by `admin` on `Mon Mar 31 17:53:26 GMT 2025`
Record UNII	6618K1VJ9T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-9394

Preferred Name

English

Methyl Benzoate

Official Name

English

METHYL BENZOATE [MI]

Common Name

English

FEMA NO. 2683

Code

English

METHYL BENZOATE [FHFI]

Common Name

English

NIOBE OIL

Common Name

English

METHYL BENZOATE [FCC]

Common Name

English

BENZOIC ACID METHYL ESTER

Systematic Name

English

METHYL BENZOATE [HSDB]

Common Name

English

CLORIUS-

Common Name

English

METHYL BENZENECARBOXYLATE

Systematic Name

English

ESSENCE OF NIOBE

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515