METHYL BENZOATE

PRODUCT IDENTIFICATION
CAS NO. 93-58-3

METHYL BENZOATE

EINECS NO. 202-259-7
FORMULA C6H5COOCH3
MOL WT. 136.15
H.S. CODE 2916.31.2000
TOXICITY Oral rat LD50: 1177 mg/Kg
SYNONYMS Niobe oil; Benzoic acid methyl ester; Methylester kyseliny benzoove;
Methyl benzenecarboxylate; Clorius; Oniobe oil; Oxidate le; Methyl benzoate;
SMILES c1(C(=O)OC)ccccc1

CLASSIFICATION

 

EXTRA NOTES

 FEMA No. 2683

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE Clear oily liquid
MELTING POINT -12 C
BOILING POINT 199 C
SPECIFIC GRAVITY 1.09
SOLUBILITY IN WATER Insoluble
pH  
VAPOR DENSITY 4.69
log P 2.12 (Octanol-water)
VAPOR PRESSURE 0.38 (mmHg at 25 C)
HENRY LAW CONSTANT 3.24E-05 (atm-m3/mole at 25 C)
OH RATE CONSTANT 8.67E-13 (cm3/molecule-sec at 25 C Atmospheric )
REFRACTIVE INDEX 1.516 - 1.518
NFPA RATINGS Health: 0 Flammability: 2 Reactivity: 0
FLASH POINT

82 C

STABILITY Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Google Scholar Search

Drug Information Portal (U.S. National Library of Medicine) - Methyl benzoate

PubChem Compound Summary - Methyl benzoate

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  Methyl benzoate

http://www.ebi.ac.uk/ -  Methyl benzoate

http://www.ncbi.nlm.nih.gov/ -  Methyl benzoate

Material Safety Data Sheet

http://courses.chem.psu.edu/
The ester group is an important functional group that can be synthesized in a number of different ways. The low-molecular-weight esters have very pleasant odors and indeed are the major components of the flavor and odor aspects of a number of fruits. Although the natural flavor may contain nearly a hundred different compounds, single esters approximate the natural odors and are often used in the food industry for artificial flavors and fragrances (see table below). ¡°In snapdragon flowers, the volatile ester methyl benzoate is the most abundant scent compound. It is synthesized by and emitted from only the upper and lower lobes of petals, where pollinators (bumblebees) come in contact with the flower. Emission of methyl benzoate occurs in a rhythmic manner, with maximum emission during the day, which correlates with pollinator activity.¡± (Taken from http://www.plantcell.org/cgi/content/abstract/13/10/2333) In this experiment, you will be synthesizing methyl benzoate via Fischer esterification.

Local:
APPLICATION: Solvent for cellulose esters , Dying carrier, Disinfectant additive, Penetrating agent, Pesticides
SALES SPECIFICATION

APPEARANCE

 Clear oily liquid
ASSAY (GC)

90.0% min ( or 96.0%  min or 99.0% min)

MOISTURE

0.5% max

ACIDITY

0.1% max

COLOR(APHA)

25 max

TRANSPORTATION
PACKING  
HAZARD CLASS  
UN NO. 2938
DESCRIPTION OF BENZOIC ACID

Benzoic acid, a white, crystalline organic compound, is a family carboxylic acids. It has a carboxyl group bound directly to a benzene ring. Though it occurs naturally in some plants, It is commercially manufactured by the reaction of toluene with oxygen at temperatures around 200 C in the presence of cobalt and manganese salts as catalysts. Pure benzoic acid melts at 122 C and is very slightly soluble in water. It is widely used as a food preservative, normally as the sodium, potassium, or calcium salts and their derivatives especially in acid foods. Benzoate preservatives applications in foods, drugs and personal products are well established. It is also widely as an intermediate for chemicals, alkyd resins, polyesters, plasticizers, dyestuffs, preservatives, and rubber activators and retardants. Benzoic Acid is a diverting agent in crude oil recovery applications.
SAFETY INFORMATION

HAZARD OVERVIEW

 

GHS

 
SIGNAL WORD Warning

PICTOGRAMS

HAZARD STATEMENTS

H302

PRECAUTIONARY STATEMENTS

P310  Immediately call a POISON CENTER or doctor/physician
P280  Wear eye protection/face protection
P501 Dispose of contents/container through a waste management company authorized by the local government. 

EC DIRECTIVES

 
HAZARD CODES

RISK PHRASES

22

SAFETY PHRASES

 

PRICE INFORMATION