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M29908

Sigma-Aldrich

Methyl benzoate

99%

Synonym(s):

Methyl benzenecarboxylate

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$51.00
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$235.00

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25 G
$44.60
500 G
$51.00
3 KG
$235.00

About This Item

Linear Formula:
C6H5COOCH3
CAS Number:
93-58-3
Molecular Weight:
136.15
Beilstein:
1072099
EC Number:
202-259-7
MDL number:
MFCD00008421
UNSPSC Code:
12352100
PubChem Substance ID:
24896788
NACRES:
NA.22

$44.60

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vapor density

4.68 (vs air)

Quality Level

200

vapor pressure

<1 mmHg ( 20 °C)

Assay

99%

form

liquid

refractive index

n20/D 1.516 (lit.)

bp

198-199 °C (lit.)

mp

−12 °C (lit.)

solubility

H2O: soluble 2.1 g/L at 20 °C

density

1.088 g/mL at 20 °C (lit.)

SMILES string

COC(=O)c1ccccc1

InChI

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

InChI key

QPJVMBTYPHYUOC-UHFFFAOYSA-N

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General description

Methyl benzoate is a volatile aromatic ester compound widely used in perfumery industries.[1][2] It is naturally occurring in guava, mango, and kiwifruit.

Application

Methyl benzoate (C6H5CO2CH3) can be utilized as a precursor for:
  • Selective synthesis of benzaldehyde using supported manganese oxide catalysts.[3][4];
  • Preparation of benzophenone derivatives by reacting with aryl compounds via Friedel-Crafts acylation.[5]

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Warning

Hazard Statements

H302,H361d

Hazard Classifications

Acute Tox. 4 Oral - Repr. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

170.6 °F - Pensky-Martens closed cup

Flash Point(C)

77 °C - Pensky-Martens closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB1414
STBL1942
STBK7323
STBK9573
STBK2707

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Characterization and Activity of MnO/γ-Al2O3 for Hydrogenation of Methyl Benzoate to Benzaldehyde
Xu H-L, et al.
Chin. J. Chem., 19(7), 647-651 (2001)
Direct aerobic oxidation of primary alcohols to methyl esters catalyzed by a heterogeneous gold catalyst
Nielsen IS, et al.
Catalysis Letters, 116(1-2), 35-40 (2007)
Hydrogenation of methyl benzoate to benzaldehyde over manganese oxide catalysts prepared from Mg/Mn/Al hydrotalcite-like compounds
Chen A, et al.
Applied Catalysis A: General, 274(1-2), 101-109 (2004)
N Dudareva et al.
The Plant cell, 12(6), 949-961 (2000-06-15)
In snapdragon flowers, the volatile ester methyl benzoate is the most abundant scent compound. It is synthesized by and emitted from only the upper and lower lobes of petals, where pollinators (bumblebees) come in contact with the flower. Emission of
Trifluoromethanesulfonic acid catalyzed novel Friedel-Crafts acylation of aromatics with methyl benzoate.
Hwang JP, et al.
Tetrahedron, 56(37), 7199-7203 (2000)
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Questions

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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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