Methyl Benzoate

HCID 7150CAS 93-58-3

Basic information

Standard SMILES
COC(=O)c1ccccc1
InChIKey
QPJVMBTYPHYUOC-UHFFFAOYSA-N
Molecular formula
C8H8O2
Average molar mass
136.15 g/mol
Monoisotopic mass
136.05242949

Names & identifiers

Preferred name
Methyl Benzoate
IUPAC
methyl benzoate
English name
Methyl benzoate
Molecular formula
C8H8O2
Molecular weight
136.15

Names & synonyms

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

Database identifiers

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

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Melting point
-12 °C · -12 °C (lit.)
Boiling point
198 · 198-199 °C (lit.)
Density
1.088 g/mL · 1.088 g/mL at 20 °C (lit.)
vapor density
4.68 · 4.68 (vs air)
vapor pressure
1 mm · <1 mm Hg ( 20 °C)
refractive index
20 · n20/D 1.516(lit.)

Safety & regulation

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
rtecs
DH3850000
ridadr
UN 2938
hs_code
29163100

Chemistry & industry

Applications · 4 items

DescriptionMethyl 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.

UsesMethyl benzoate is used in perfumery. It also finds use as a solvent. It acts as an intermediate and odor agents. Further, it is used to attract insects such as orchid bees. It is also used for cellulose esters, cellulose ethers, synthetic resin and rubber solvent and polyester fibers to assist in the preparation of flavor.

General DescriptionA crystalline solid or a solid dissolved in a liquid. Denser than water. Contact may slightly irritate skin, eyes and mucous membranes. May be slightly toxic by ingestion. Used to make other chemicals.

Preparation methods · 1 item

PreparationMethyl 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.

Suppliers50 total

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]

Additional notes

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.

Related reactions

218 records

Linked notes

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