Methyl Benzoate

HCID 7150CAS 93-58-3

Grundinformationen

Standard-SMILES
COC(=O)c1ccccc1
InChIKey
QPJVMBTYPHYUOC-UHFFFAOYSA-N
Summenformel
C8H8O2
Durchschnittliche Molmasse
136,15 g/mol
Monoisotopische Masse
136,05242949

Namen und Bezeichner

Bevorzugter Name
Methyl Benzoate
IUPAC
methyl benzoate
Lokaler Name
Methylbenzoat
Englischer Name
Methyl benzoate
Summenformel
C8H8O2
Molmasse
136.15

Namen und Synonyme

METHYL BENZOATE93-58-3benzoic acid methyl esterMethylbenzoateBenzoic acid, methyl esterCloriusMethyl benzenecarboxylateEssence of niobeFEMA No. 2683Methylester kyseliny benzooveDTXSID50255726618K1VJ9T
Weitere Namen anzeigen
FEMA 2683NIOBE OILMethylbenzoatOilofmiobeOniobe oilOIL OF NIOBESlethylbenzoat
NSC-9394DTXCID405572CHEBI:72775RefChem:6019202-259-7Oxidate leNSC 9394MFCD00008421

Datenbank-Bezeichner

CAS
93-58-3
PubChem CID
7150
DTXSID
DTXSID5025572
ChEMBL
CHEMBL16435
ChEBI
CHEBI:72775
UNII
6618K1VJ9T
EC Number
202-259-7
Nikkaji
J9.149I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
-12 °C · -12 °C (lit.)
Siedepunkt
198 · 198-199 °C (lit.)
Dichte
1.088 g/mL · 1.088 g/mL at 20 °C (lit.)
Dampfdichte
4.68 · 4.68 (vs air)
Dampfdruck
1 mm · <1 mm Hg ( 20 °C)
Brechungsindex
20 · n20/D 1.516(lit.)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 2938
hs_code
29163100
RTECS-Nr.
DH3850000
risk_code
22

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungMethyl benzoate is an organic compound. It is an ester with the chemical formula C6H5CO2CH3. 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.

OccurrenceMethyl benzoate can be isolated from the freshwater fern Salvinia molesta. It is one of many compounds that is attractive to males of various species of orchid bees, which apparently gather the chemical to synthesize pheromones; it is commonly used as bait to attract and collect these bees for study. Cocaine hydrochloride hydrolyzes in moist air to give methyl benzoate; drug - sniffing dogs are thus trained to detect the smell of methyl benzoate.

Darstellung · 1 Eintrag

synthetischeMethyl benzoate is manufactured by heating benzoic acid and dimethyl sulfate to high temperature, or by exchange between ethyl benzoate and methanol in KOH solution. It may also be produced by the alcoholysis of benzonitrile. It is a by-product of ozonolysis of water.

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Syntechem Co.,Ltd[email protected]

Ergänzende Hinweise

DefinitionChEBI: Methyl benzoate is a benzoate ester obtained by condensation of benzoic acid and methanol. It has a role as a metabolite and an insect attractant. It is a benzoate ester and a methyl ester.

Zugehörige Reaktionen

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