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18344

Supelco

Methyl benzoate

analytical standard

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About This Item

Fórmula linear:
C6H5COOCH3
Número CAS:
Peso molecular:
136.15
Beilstein:
1072099
Número CE:
Número MDL:
Código UNSPSC:
85151701
eCl@ss:
39024501
ID de substância PubChem:
NACRES:
NA.24

grau

analytical standard

Nível de qualidade

densidade de vapor

4.68 (vs air)

pressão de vapor

<1 mmHg ( 20 °C)

Ensaio

≥99.5% (GC)

prazo de validade

limited shelf life, expiry date on the label

técnica(s)

HPLC: suitable
gas chromatography (GC): suitable

índice de refração

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

p.e.

198-199 °C (lit.)

pf

−12 °C (lit.)

solubilidade

H2O: soluble 2.1 g/L at 20 °C

densidade

1.088 g/mL at 20 °C (lit.)

aplicação(ões)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

Formato

neat

cadeia de caracteres SMILES

COC(=O)c1ccccc1

InChI

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

chave InChI

QPJVMBTYPHYUOC-UHFFFAOYSA-N

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Descrição geral

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

Aplicação

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.

Pictogramas

Health hazardExclamation mark

Palavra indicadora

Warning

Frases de perigo

Classificações de perigo

Acute Tox. 4 Oral - Repr. 2

Código de classe de armazenamento

10 - Combustible liquids

Classe de risco de água (WGK)

WGK 1

Ponto de fulgor (°F)

170.6 °F - Pensky-Martens closed cup

Ponto de fulgor (°C)

77 °C - Pensky-Martens closed cup

Equipamento de proteção individual

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


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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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