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Methyl benzoate

analytical standard

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About This Item

Formule linéaire :
C6H5COOCH3
Numéro CAS:
Poids moléculaire :
136.15
Numéro Beilstein :
1072099
Numéro CE :
Numéro MDL:
Code UNSPSC :
85151701
eCl@ss :
39024501
ID de substance PubChem :
Nomenclature NACRES :
NA.24

Qualité

analytical standard

Niveau de qualité

Densité de vapeur

4.68 (vs air)

Pression de vapeur

<1 mmHg ( 20 °C)

Pureté

≥99.5% (GC)

Durée de conservation

limited shelf life, expiry date on the label

Technique(s)

HPLC: suitable
gas chromatography (GC): suitable

Indice de réfraction

n20/D 1.516 (lit.)
n20/D 1.517

Point d'ébullition

198-199 °C (lit.)

Pf

−12 °C (lit.)

Solubilité

H2O: soluble 2.1 g/L at 20 °C

Densité

1.088 g/mL at 20 °C (lit.)

Application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

Format

neat

Chaîne SMILES 

COC(=O)c1ccccc1

InChI

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

Clé InChI

QPJVMBTYPHYUOC-UHFFFAOYSA-N

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Description générale

Methyl benzoate (MB) belongs to the class of benzenoid esters. It exists as a naturally occurring compound in a variety of plants including freshwater fern Salvinia molesta, Antirrhinum genus species, etc. MB extracted from the fermented apple juice is reported to possess toxicity against an invasive fruit fly, identified as Drosophila suzukii Matsumura.
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Application

Methyl benzoate may be used as an extraction solvent for extracting and preconcentrating benzimidazole fungicides in water samples prior to their determination by high-performance liquid chromatography with photodiode array detection (HPLC-PDA). It may also be used as an analytical reference standard for the quantification of the analyte in Rosa hybrida using gas chromatography-mass spectrometry technique (GC-MS).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Pictogrammes

Health hazardExclamation mark

Mention d'avertissement

Warning

Mentions de danger

Classification des risques

Acute Tox. 4 Oral - Repr. 2

Code de la classe de stockage

10 - Combustible liquids

Classe de danger pour l'eau (WGK)

WGK 1

Point d'éclair (°F)

170.6 °F - Pensky-Martens closed cup

Point d'éclair (°C)

77 °C - Pensky-Martens closed cup

Équipement de protection individuelle

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Certificats d'analyse (COA)

Lot/Batch Number

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Les clients ont également consulté

Genetic analysis of natural variation in antirrhinum scent profiles identifies benzoic acid carboxymethyl transferase as the major locus controlling methyl benzoate synthesis
Ruiz-Hernandez V, et al.
Frontiers in Plant Science, 8, 27-27 (2017)
Anna Klimek-Turek et al.
Molecules (Basel, Switzerland), 25(21) (2020-11-04)
In this manuscript, the retention of aromatic hydrocarbons with polar groups has been compared for systems with various nonpolar columns of the types from C3 to C18 and different mobile phases composed of methanol, acetonitrile, or tetrahydrofuran as modifiers. The
Na Lin et al.
The journal of physical chemistry. B, 112(15), 4703-4710 (2008-03-22)
We present a theoretical study of the solvent-induced three-photon absorption cross section of a highly conjugated fluorene derivative, performed using density functional (DFT) cubic response theory in combination with the polarizable continuum model. The applicability of the often used two-state
María Manchado-Rojo et al.
The Plant journal : for cell and molecular biology, 72(2), 294-307 (2012-06-20)
The transcriptional network topology of B function in Antirrhinum, required for petal and stamen development, is thought to rely on initial activation of transcription of DEFICIENS (DEF) and GLOBOSA (GLO), followed by a positive autoregulatory loop maintaining gene expression levels.
Derek R Boyd et al.
Organic & biomolecular chemistry, 8(6), 1415-1423 (2010-03-06)
The cis-dihydrodiol metabolite from methyl benzoate has been used as a synthetic precursor of carba-beta-L-galactopyranose, carba-beta-L-talopyranose and carba-alpha-L-talopyranose. The structures and absolute configurations of these carbasugars were determined by a combination of NMR spectroscopy, stereochemical correlation and X-ray crystallography.

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