| Identification | More | [Name]
Methyl benzoate | [CAS]
93-58-3 | [Synonyms]
BENZOIC ACID METHYL ESTER
ESSENCE OF NIOBE
FEMA 2683
LABOTEST-BB LT00786170
METHYL BENZENECARBOXYLATE
METHYL BENZOATE
NIOBE OIL
OIL OF NIOBE
RARECHEM AL BF 0531
Benzoesαuremethylester
Methyl ester of benzoic acid
Methylbenzoat
Methylester kyseliny benzoove
methylesterkyselinybenzoove
Oilofmiobe
Oniobe oil
Oxidate le
Slethylbenzoat
METHYL BENZOATE PURE
METHYL BENZOATE 98+% NATURAL FCC | [EINECS(EC#)]
202-259-7 | [Molecular Formula]
C8H8O2 | [MDL Number]
MFCD00008421 | [Molecular Weight]
136.15 | [MOL File]
93-58-3.mol |
| Chemical Properties | Back Directory | [Appearance]
Methyl benzoate is a colorless, oily, transparent, liquid. Pleasant odor. | [Melting point ]
-12 °C (lit.) | [Boiling point ]
198-199 °C (lit.) | [density ]
1.088 g/mL at 20 °C(lit.)
| [vapor density ]
4.68 (vs air)
| [vapor pressure ]
<1 mm Hg ( 20 °C)
| [FEMA ]
2683 | [refractive index ]
n20/D 1.516(lit.)
| [Fp ]
181 °F
| [storage temp. ]
Store at +5°C to +30°C. | [solubility ]
ethanol: soluble60%, clear (1mL/4ml) | [form ]
Liquid | [color ]
Clear colorless to pale yellow | [Specific Gravity]
1.087～1.095 (20℃) | [Odor]
at 1.00 % in dipropylene glycol. phenolic wintergreen almond floral cananga | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, strong bases. | [explosive limit]
8.6-20%(V) | [Odor Type]
phenolic | [Water Solubility ]
<0.1 g/100 mL at 22.5 ºC | [JECFA Number]
851 | [Merck ]
14,6024 | [BRN ]
1072099 | [Dielectric constant]
6.6（20℃） | [LogP]
2.12-2.2 at 20℃ | [CAS DataBase Reference]
93-58-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, methyl ester(93-58-3) | [EPA Substance Registry System]
93-58-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S36:Wear suitable protective clothing . | [RIDADR ]
UN 2938 | [WGK Germany ]
1
| [RTECS ]
DH3850000
| [Autoignition Temperature]
510 °C | [TSCA ]
Yes | [HS Code ]
29163100 | [Safety Profile]
Moderately toxic by
ingestion. Mildly toxic by skin contact. A
skin and eye irritant. Combustible liquid
when exposed to heat or flame; can react
with oxidizing materials. To fight fire, use
foam, CO2, dry chemical, water to blanket
fire. When heated to decomposition it emits
acrid smoke and irritating fumes. | [Hazardous Substances Data]
93-58-3(Hazardous Substances Data) | [Toxicity]
LD50 orally in rats: 3.43 g/kg (Smyth) |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Methanol-->Hydrogen-->Benzoic acid-->Methyl 4-iodobenzoate-->N'-benzoyl-N,N-diethylurea-->oxanthranol-->1-METHYL-4-PHENYLETHYNYL-BENZENE | [Preparation Products]
Methyl anthranilate-->2-Ethoxybenzoic acid-->Lactofen-->Levosulpiride-->Benzohydroxamic acid-->3-Nitrobenzoic acid-->Methyl 3,4,5-trimethoxybenzoate-->3-AMINO-1-PHENYL-PROPAN-1-OL-->Methyl 3-nitrobenzoate-->Methyl 2-bromobenzoate-->PROPYL BENZOATE-->1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(phenylmethoxy)--->2-P-ANISYL-1,3-INDANDIONE-->benzoylazide |
| Hazard Information | Back Directory | [General Description]
A 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. | [Reactivity Profile]
METHYL BENZOATE(93-58-3) is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This compound reacts with strong oxidizing agents and strong bases and hydrolyzes slowly in contact with water. . | [Air & Water Reactions]
Slightly soluble in water. Hydrolyzes slowly in contact with water . | [Hazard]
Toxic by ingestion. | [Health Hazard]
Irritating to the eyes, nose, throat, upper respiratory tract, and skin. May cause allegic skin and respiratory reactions. | [Potential Exposure]
Used as food additive and as a solvent
for cellulose esters and ethers, resins and rubber.
| [Fire Hazard]
Special Hazards of Combustion Products: None | [First aid]
If this chemical gets into the eyes, remove any
contact lenses at once and irrigate immediately for at least
15 minutes, occasionally lifting upper and lower lids. Seek
medical attention immediately. If this chemical contacts the
skin, remove contaminated clothing and wash immediately
with soap and water. Seek medical attention immediately.
If this chemical has been inhaled, remove from exposure,
begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if
heart action has stopped. Transfer promptly to a medical
facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce
vomiting. Do not make an unconscious person vomit. Note
to Physician: Inhalation: Bronchodialators, decongestants
and oxygen may be used if necessary. Corticosteroids are
useful for treating pneumonitis. | [Description]
Methyl 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. | [Chemical Properties]
Methyl Benzoate has been found in essential oils (e.g., ylang-ylang oil). It is a colorless liquid with a strong, dry-fruity, slightly phenolic odor. Methyl benzoate can be converted simply into other benzoates by transesterification. Since methyl benzoate is a fairly large by-product in the manufacture of Terylene, earlier synthetic routes such as those starting from benzoic acid or benzoyl chloride have largely been abandoned. | [Waste Disposal]
Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal,
state, and local environmental regulations must be
observed. | [Physical properties]
Methyl benzoate is a colorless, oily, transparent, liquid that has a pleasant fruity odor, similar to cananga. miscible with ether, soluble in methanol and ether, insoluble in water and glycerol. It is used in perfume bases, such as ylang-ylang and tuberose types. | [Occurrence]
Methyl 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. | [Uses]
Methyl 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. | [Application]
Methyl benzoate is a volatile aromatic ester compound widely used in perfumery industries. It is naturally occurring in guava, mango, and kiwifruit. It is one of many compounds that is attractive to males of various species of orchid bees, who apparently gather the chemical to synthesize pheromones. It can also be utilized as a precursor for:
Selective synthesis of benzaldehyde using supported manganese oxide catalysts.
Preparation of benzophenone derivatives by reacting with aryl compounds via Friedel-Crafts acylation. | [Definition]
ChEBI: A benzoate ester obtained by condensation of benzoic acid and methanol. | [Preparation]
By heating benzoic acid and dimethyl sulfate to high temperature, or by exchange between ethyl benzoate and methanol
in KOH solution. | [Production Methods]
The compound is manufactured by heating methanol and
benzoic acid in the presence of sulfuric acid or by passing dry
hydrogen chloride through a solution of benzoic acid in
methanol . It may also be produced by the alcoholysis
of benzonitrile . It is a by-product of ozonolysis of
water . | [Aroma threshold values]
Detection: 110 ppb | [Taste threshold values]
Taste characteristics at 30 ppm: phenolic and cherry pit with a camphoraceous nuance. | [Synthesis Reference(s)]
Chemical and Pharmaceutical Bulletin, 31, p. 4209, 1983 DOI: 10.1248/cpb.31.4209 | [Synthesis]
Methyl benzoate is formed by the condensation of methanol and benzoic acid, in presence of a strong acid such as hydrochloric acid . It reacts both at the ring and the ester. Illustrative of its ability to undergo electrophilic substitution, methyl benzoate undergoes acidcatalysed nitration with nitric acid to give methyl 3-nitrobenzoate. It also undergoes hydrolysis with addition of aqueous NaOH to give methanol and sodium benzoate, which can be acidified with aqueous HCl to form benzoic acid. | [storage]
Color Code—Red: Flammability Hazard: Store in a flammable liquid storage area or approved cabinet away from ignition sources and corrosive and reactive materials. Prior to working with methyl benzoate you should be trained on its proper handling and storage. Store in tightly closed containers in a cool, well-ventilated area away from strong Methyl benzoate 1761 acids, strong bases, oxidizers, nitrates. Where possible, automatically pump liquid from drums or other storage containers to process containers. Drums must be equipped with selfclosing valves, pressure vacuum bungs, and flame arresters. Use only nonsparking tools and equipment, especially when opening and closing containers of this chemical. Wherever this chemical is used, handled, manufactured, or stored, use explosion-proof electrical equipment and fittings. | [Shipping]
Methyl benzoate requires a shipping label of “POISONOUS/TOXIC MATERIALS.” It falls in Hazard Class 6.1 and Packing Group III | [Purification Methods]
Wash the ester with dilute aqueous NaHCO3, then water, dry with Na2SO4 and fractionally distil it in a vacuum. [Beilstein 9 IV 283.] | [Incompatibilities]
Incompatible with strong acids, strong bases, nitrates, oxidizers. |
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