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Methyl benzoate information


Methyl benzoate
Methyl benzoate
Methyl benzoate
3D model of methyl benzoate
3D model of methyl benzoate
Names
Preferred IUPAC name
Methyl benzoate
Systematic IUPAC name
Methyl benzenecarboxylate
Identifiers
CAS Number
  • 93-58-3 checkY
3D model (JSmol)
  • Interactive image
ChEMBL
  • ChEMBL16435 checkY
ChemSpider
  • 6883 checkY
ECHA InfoCard 100.002.055 Edit this at Wikidata
PubChem CID
  • 7150
UNII
  • 6618K1VJ9T checkY
CompTox Dashboard (EPA)
  • DTXSID5025572 Edit this at Wikidata
InChI
  • InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 checkY
    Key: QPJVMBTYPHYUOC-UHFFFAOYSA-N checkY
  • InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
    Key: QPJVMBTYPHYUOC-UHFFFAOYAK
SMILES
  • O=C(OC)c1ccccc1
Properties
Chemical formula
C8H8O2
Molar mass 136.150 g·mol−1
Density 1.0837 g/cm3
Melting point −12.5 °C (9.5 °F; 260.6 K)
Boiling point 199.6 °C (391.3 °F; 472.8 K)
Magnetic susceptibility (χ)
−81.95×10−6 cm3/mol
Refractive index (nD)
1.5164
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 0: Exposure under fire conditions would offer no hazard beyond that of ordinary combustible material. E.g. sodium chlorideFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
0
2
0
Flash point 82 °C (180 °F; 355 K)
Safety data sheet (SDS) ScienceLab MSDS
Related compounds
Related compounds
  • Ethyl benzoate
  • Propyl benzoate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)
Infobox references

Methyl benzoate is an organic compound. It is an ester with the chemical formula C6H5COOCH3, sometimes abbreviated as PhCO2Me, where Ph and Me are phenyl and methyl, respectively. Its structure is C6H5−C(=O)−O−CH3. It is a colorless liquid that is poorly soluble in water, but miscible with organic solvents. Methyl benzoate has a pleasant smell, strongly reminiscent of the fruit of the feijoa tree, and it is used in perfumery. It also finds use as a solvent and as a pesticide used to attract insects such as orchid bees.

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Methyl benzoate

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Methyl benzoate is an organic compound. It is an ester with the chemical formula C6H5COOCH3, sometimes abbreviated as PhCO2Me, where Ph and Me are phenyl...

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Methanol

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commodity chemicals, including formaldehyde, acetic acid, methyl tert-butyl ether, methyl benzoate, anisole, peroxyacids, as well as a host of more specialised...

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Potassium benzoate

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potassium benzoate in the lab setting is by hydrolyzing methyl benzoate with potassium hydroxide: C6H5COOCH3 + KOH → C6H5COOK + CH3OH Potassium benzoate, like...

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Benzyl benzoate

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benzyl chloride in the presence of a base, or by transesterification of methyl benzoate and benzyl alcohol. It is a byproduct of benzoic acid synthesis by...

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Ester

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esters, e.g., methyl perchlorate (CH3−O−Cl(=O)3) Sulfuric acid forms sulfate esters, e.g., dimethyl sulfate ((CH3−O−)2S(=O)2) and methyl bisulfate (CH3−O−S(=O)2−OH)...

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List of esters

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thegoodscentscompany.com Methyl pentanoate, thegoodscentscompany.com Methyl benzoate, thegoodscentscompany.com Methyl anthranilate, thegoodscentscompany.com Methyl salicylate...

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Ethyl benzoate

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Ethyl benzoate, C9H10O2, is an ester formed by the condensation of benzoic acid and ethanol. It is a colorless liquid that is almost insoluble in water...

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Benzoic acid

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Benzoate plasticizers, such as the glycol-, diethyleneglycol-, and triethyleneglycol esters, are obtained by transesterification of methyl benzoate with...

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Cananga odorata

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of ylang-ylang oil are benzyl acetate, linalool, p-cresyl methyl ether, and methyl benzoate, responsible for its characteristic odor. Typical chemical...

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Propyl benzoate

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well as in butter. Propyl benzoate can be synthesized by the transesterification of methyl benzoate with propanol. Propyl benzoate can also be synthesized...

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List of additives in cigarettes

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Methoxypyrazine Methyl 2-furoate Methyl 2-octynoate Methyl 2-pyrrolyl ketone Methyl anisate Methyl anthranilate Methyl benzoate Methyl cinnamate Methyl dihydrojasmonate...

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C8H8O2

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4-Hydroxyphenylacetaldehyde 2-Methoxybenzaldehyde (o-anisaldehyde) Methyl benzoate Phenyl acetate Phenylacetic acid Piceol and other hydroxy acetophenones...

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Feijoa sellowiana

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potent smell that resembles that of a fine perfume. The aroma is due to methyl benzoate and related compounds in the fruit. The plant is a warm-temperate,...

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Jasminum sambac

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tetradecamethylcycloheptasiloxane, methyl benzoate, linalool, benzyl acetate, (-)-(R)-jasmine lactone, (E,E)-α-farnesene, (Z)-3-hexenyl benzoate, N-acetylmethylanthranilate...

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Salvinia molesta

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benzoyl)-beta-D-glucopyranosyl ester, 4-O-beta-d-glucopyranoside-3-hydroxy methyl benzoate, methyl benzoate, hypogallic acid, caffeic acid, paeoniflorin and pikuroside...

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Diazomethane

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point-of-use conversion with benzoic acid, resulting in a 65% yield of the methyl benzoate ester within seconds at temperatures ranging from 0 to 50 °C. The yield...

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Menthol

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The enantiomers are separated by chiral resolution in reaction with methyl benzoate, selective crystallisation followed by hydrolysis. Racemic menthol...

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Euglossini

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considered appealing to humans (e.g., methyl salicylate, eugenol, cineole, benzyl acetate, methyl benzoate, methyl cinnamate), and others which are not...

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Bioaugmentation

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treatment. Bioaugmentation has been reported to remove 3-chlorobenzoate, 4-methyl benzoate, toluene, phenol, and chlorinated solvents. The anaerobic reactor was...

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Dimethyl terephthalate

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it can be prepared by alternating oxidation and methyl-esterification steps from p-xylene via methyl p-toluate (PT). The method for the production of...

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Sodium methylparaben

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Sodium methylparaben (sodium methyl para-hydroxybenzoate) is a compound with formula Na(CH3(C6H4COO)O). It is the sodium salt of methylparaben. It is a...

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Triphenylmethanol

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quickly reacts with water. The preparation of triphenylmethanol from methyl benzoate or benzophenone and phenylmagnesium bromide is a common laboratory...

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Tetrahedral carbonyl addition compound

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Ludwig Claisen in 1887. In the reaction of benzyl benzoate with sodium methoxide, and methyl benzoate with sodium benzyloxide, he observed a white precipitate...

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Agaricus subrufescens

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aroma resulting from benzaldehyde, benzyl alcohol, benzonitrile, and methyl benzoate. Used in traditional and alternative medicine for its supposed anti-cancer...

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Floral scent

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Christine M.; Dudareva, Natalia (2001-10-01). "Regulation of Circadian Methyl Benzoate Emission in Diurnally and Nocturnally Emitting Plants". The Plant Cell...

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Tropacocaine

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Tropacocaine (tropacaine, benzoylpseudotropine, pseudotropine benzoate, descarbomethoxycocaine) is a cocaine-related alkaloid and a contaminant of street...

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Benzoylecgonine

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wastewater screenings for cocaine use. Chemically, benzoylecgonine is the benzoate ester of ecgonine. It is a primary metabolite of cocaine, and is pharmacologically...

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