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Methyl benzoate

Flavors and perfume Content Analysis Toxicity Limited use Chemical Properties Uses Production method Category Toxicity grading Acute toxicity Skin irritation data Explosive and hazardous characteristics Combustible property and hazard characteristics Storage characteristics Extinguishing Media
Methyl benzoate
Methyl benzoate
CAS No.
93-58-3
Chemical Name:
Methyl benzoate
Synonyms
FEMA 2683;NIOBE OIL;Oilofmiobe;Oniobe oil;Oxidate le;OIL OF NIOBE;Methylbenzoat;Slethylbenzoat;METHYL BENZOATE;ESSENCE OF NIOBE
CBNumber:
CB8252119
Molecular Formula:
C8H8O2
Formula Weight:
136.15
MOL File:
93-58-3.mol

Methyl benzoate Properties

Melting point:
-12 °C
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)
refractive index 
n20/D 1.516(lit.)
FEMA 
2683 | METHYL BENZOATE
Flash point:
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
explosive limit
8.6-20%(V)
Water Solubility 
<0.1 g/100 mL at 22.5 ºC
Merck 
14,6024
BRN 
1072099
Stability:
Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, strong bases.
CAS DataBase Reference
93-58-3(CAS DataBase Reference)
NIST Chemistry Reference
Benzoic acid, methyl ester(93-58-3)
EPA Substance Registry System
Benzoic acid, methyl ester(93-58-3)
SAFETY
  • Risk and Safety Statements
  • Hazard and Precautionary Statements (GHS)
Hazard Codes  Xn
Risk Statements  22
Safety Statements  36
RIDADR  UN 2938
WGK Germany  1
RTECS  DH3850000
TSCA  Yes
Hazardous Substances Data 93-58-3(Hazardous Substances Data)
Toxicity LD50 orally in rats: 3.43 g/kg (Smyth)
Symbol(GHS):
Signal word: Warning
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H227 Combustible liquid Flammable liquids Category 4 Warning P210, P280, P370+P378, P403+P235,P501
H302 Harmful if swallowed Acute toxicity,oral Category 4 Warning P264, P270, P301+P312, P330, P501
H304 May be fatal if swallowed and enters airways Aspiration hazard Category 1 Danger
Precautionary statements:
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264 Wash hands thoroughly after handling.
P264 Wash skin thouroughly after handling.
P270 Do not eat, drink or smoke when using this product.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378 In case of fire: Use … for extinction.
P405 Store locked up.
P403+P235 Store in a well-ventilated place. Keep cool.
P501 Dispose of contents/container to..…

Methyl benzoate price More Price(37)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 1.06059 Methyl benzoate 93-58-3 2EA $309 2017-11-08 Buy
Sigma-Aldrich 1.06059 Methyl benzoate 93-58-3 1EA $149 2017-11-08 Buy
TCI Chemical B0074 Methyl Benzoate >99.0%(GC) 93-58-3 25mL $14 2017-11-08 Buy
TCI Chemical B0074 Methyl Benzoate >99.0%(GC) 93-58-3 500mL $26 2017-11-08 Buy
Alfa Aesar A12404 Methyl benzoate, 99% 93-58-3 250g $12.5 2018-11-13 Buy

Methyl benzoate Chemical Properties,Uses,Production

Flavors and perfume

Methyl benzoate is a commonly used aromatic carboxylic acid esters, flavors, and fragrances in daily chemical industry of China with strong floral, fruity aroma and ylang and tuberose like nuances as well as phenol breath. It is naturally presented in ylang oil, tuberose oil, clove oil, oil of Kalanchoe and daffodils oil and some other kinds of essential oils.
Methyl benzoate is the food flavors allowed by the provision of the GB2760-1996 of China and can be used for modulation of strawberry, raspberry, cherry, pineapple, rum, vanilla beans and nuts flavor and some other kinds of flavor essence; it can be applied to food and can also be applied to daily flavor formulations for the preparation the base of ylang type and flower flavor type incense with the amount being less than 12%. There is no restriction in IFRA.
Methyl benzoate was identified as GRAS by FEMA with the FEMA number being 2683 and approved by the FDA for human administration. The Council of Europe has listed methyl benzoate into the table of artificial flavor which can be used for food and is harmless to the human health with the maximum amount being 61 mg/kg and ADI being 5 mg/kg.
Methyl benzoate is stable in air and can be slowly oxidized in the presence of an oxidizing agent; it can react with base and can subject to saponification with generating benzonic acid. It can also have transesterification to prepare other kinds of benzoates; it is also susceptible to hydrolysis. According to the information provided by RIFM, the acute toxicity data of methyl benzoate: oral LD50: 3.4g/kg (rats).
The traditional method is based on the esterfication of the benzoate and methanol in the presence of sulfuric acid for generating methyl benzoate. Since the methyl benzoate is the intermediate in the production of polymer material-the by-product of dimethyl terephthalate. Therefore, we can try to isolate and obtain the product which can meet the perfumer specification from the crude methyl benzoate.
Methyl benzoate can not only be used for the preparation of rosette, geranium type and other flavors but also be used as the solvents of cellulose esters, cellulose ether, resins and rubber; it can also be used for the fiber dyeing of hydrophobic polyester and can shorten the dyeing time, reduce the dyeing temperature and improve the degree of wash fastness after dyeing fabric.
The above information is edited by the chemicalbook of Dai Xiongfeng.

Content Analysis

Measure it according to the method 1 in the ester assay (OT-18). The amount of the taken sample is 900 mg. Take 68.08 as the equivalency factors for calculation or measure it according to the non-polar column method according to the gas chromatography (GT-10-4) method.

Toxicity

ADI: 5mg/kg (CE).
LD50: 1350mg/kg (rat, oral).

Limited use

FEMA (mg/kg): Soft drinks 2.2; cold drink 4.5; candy 8.4; Bakery 9.9; Gum: 61.
Take appropriate amount as limit (FDA§172.515, 2000);

Chemical Properties

It is colorless oily liquid with strong floral and cherry aromas. It is miscible with ethyl ether, soluble in methanol, ethyl ether but insoluble in water and glycerol.

Uses

It can be used as the solvents of cellulose esters, cellulose ethers, synthetic resins and rubber as well as the dyeing auxiliary agent of polyester fiber. It can be used for the preparation of flavors.
It can be used as the solvent in the microscopic analysis as well as the solvent for cellulose.
GB 2760-1996 provides it as allowable food flavors. It can be mainly used for the preparation of strawberry, raspberry, pineapple, cherry, vanilla beans, nuts and rum flavor.
It is commonly used spices for formulating ylang, tuberose scent type. It can also be applied to daffodils, lavender, clove and savory type of Spanish leather. Being used in combination with rock rose product, oak moss or tree moss as well as vetiver oil, it can be used for preparing fern type to achieve pleasant scent. IT can be applied to inexpensive detergent, bad-smell masking agents as well as industrial flavor. It can also be widely applied to food flavors such as strawberry type and so on.
For flavor preparation, it is also used as a cellulose ester, cellulose ether solvent, resin, rubber, etc.
It can be used for organic synthesis; for the solvents of cellulose esters, cellulose ether, resin, rubber and so on; it can also be used as spice with rich aroma of wintergreen oil and cananga oil. It can be used for preparation of soap and cosmetics-purpose artificial ylang oil and sesame oil; it can also be used as food flavor for the preparation of strawberry, pineapple, cherries and rum.

Production method

Put through the hydrogen chloride gas into the methanol solution of the benzoic acid.
It can be produced through the reaction of benzoic acid and dimethyl sulfate at elevated temperatures.
It can be produced from the co-heating between benzoic acid and methanol in the presence of sulfuric acid.

Category

Toxic substances.

Toxicity grading

Poisoning

Acute toxicity

Oral-rat-LD50: 1177 mg/kg; Oral-Mouse LD50: 3330 mg/kg.

Skin irritation data

Rabbit 10 mg/24 hr Mild; Eyes-rabbit 500 mg/24 hr mild.

Explosive and hazardous characteristics

High-temperature, explosive.

Combustible property and hazard characteristics

Combustible upon fire.

Chemical Properties

colourless to light yellow fragrant liquid

Storage characteristics

Treasury: ventilation, low-temperature and dry; store and transport it separately from food and oxidant.

Definition

ChEBI: A benzoate ester obtained by condensation of benzoic acid and methanol.

Uses

In perfumes (Peau d'Espagne).

Extinguishing Media

Foam, dry powder, carbon dioxide.

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.

Air & Water Reactions

Slightly soluble in water. Hydrolyzes slowly in contact with water .

Reactivity Profile

Methyl benzoate 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. Methyl benzoate reacts with strong oxidizing agents and strong bases and hydrolyzes slowly in contact with water. .

Health Hazard

Irritating to the eyes, nose, throat, upper respiratory tract, and skin. May cause allegic skin and respiratory reactions.

Fire Hazard

Special Hazards of Combustion Products: None

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.]

Methyl benzoate Preparation Products And Raw materials

Raw materials

Preparation Products


Methyl benzoate Suppliers

Global( 241)Suppliers
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Shenzhen Sendi Biotechnology Co.Ltd.
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