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Basic Information

Molecular Structure:
CAS No.:	93-58-3
Name:	Methyl benzoate
Article Data:	1443

Formula:	C₈H₈O₂
Molecular Weight:	136.15
Synonyms:	Clorius;AI3-00525;Methyl benzenecarboxylate;NSC 9394;Niobe oil;Benzoic acid, methyl ester;CCRIS 5851;Clorius (VAN);Essence of niobe;FEMA No. 2683;HSDB 5283;Methyl benzoate (natural);Methylbenzoate;Methylester kyseliny benzoove;Methylester kyseliny benzoove [Czech];
EINECS:	202-259-7
Density:	1.069 g/cm³
Melting Point:	-12 °C
Boiling Point:	199.5 °C at 760 mmHg
Flash Point:	80.2 °C
Solubility:	<0.1 g/100 mL at 22.5 °C in water
Appearance:	colourless to light yellow fragrant liquid
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	36
Transport Information:	UN 2938
PSA:	26.30000
LogP:	1.47320

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Chemistry

Molecular Structure:
Molecular Formula: C₈H₈O₂
Molecular Weight: 136.1479
IUPAC Name: Methyl benzoate
Synonyms of Methyl benzenecarboxylate (CAS NO.93-58-3): AI3-00525 ; Benzoic acid, methyl ester ; CCRIS 5851 ; Clorius ; Clorius (VAN) ; EINECS 202-259-7 ; Essence of niobe ; FEMA No. 2683 ; HSDB 5283 ; Methyl benzoate ; Methyl benzoate (natural) ; Methylbenzoate ; Methylester kyseliny benzoove ; Methylester kyseliny benzoove [Czech] ; NSC 9394 ; Niobe oil ; Oil of niobe ; UNII-6618K1VJ9T ; Methyl benzoate [UN2938] [Keep away from food] ; UN2938
CAS NO: 93-58-3
Classification Code: Natural Product
Melting point: -12 °C
Polar Surface Area: 26.3 Å²
Index of Refraction: 1.509
Molar Refractivity: 38.02 cm³
Molar Volume: 127.3 cm³
Surface Tension: 36.1 dyne/cm
Density: 1.069 g/cm³
Flash Point: 80.2 °C
Enthalpy of Vaporization: 43.57 kJ/mol
Boiling Point: 199.5 °C at 760 mmHg
Vapour Pressure: 0.34 mmHg at 25°C

Uses

Methyl benzenecarboxylate (CAS NO.93-58-3) can be used for cellulose esters, cellulose ethers, synthetic resin and rubber solvent and polyester fibers to help agent for the preparation of flavor.

Production

Methyl benzenecarboxylate (CAS NO.93-58-3) has the production as followings.
Put acid gases hydrogen into chloride methanol solution.By benzoic acid and dimethyl sulfate formed at high temperature reaction.In the presence of sulfuric acid from the acid and methanol were derived heat.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	skin	10gm/kg (10000mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.
guinea pig	LD50	oral	4100mg/kg (4100mg/kg)		Food and Cosmetics Toxicology. Vol. 12, Pg. 937, 1974.
mouse	LD50	oral	3330mg/kg (3330mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT	Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit	LD50	oral	2170mg/kg (2170mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: MUSCLE WEAKNESS	Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.
rat	LD50	oral	1177mg/kg (1177mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 18, Pg. 69, 1986.

Consensus Reports

Reported in EPA TSCA Inventory.

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.
Safety Information of Methyl benzenecarboxylate (CAS NO.93-58-3):
Hazard Codes: Harmful Xn, Corrosive C
Risk Statements: 22
R22: Harmful if swallowed.
Safety Statements: 36
S36: Wear suitable protective clothing.
RIDADR: UN 2938
WGK Germany: 1
RTECS: DH3850000
Hazardous Substances Data: 93-58-3(Hazardous Substances Data)

Standards and Recommendations

DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD

Specification

Stability and Reactivity of Methyl benzenecarboxylate (CAS NO.93-58-3):
Chemical Stability: Not available
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents, strong bases.
Hazardous Decomposition Products Carbon monoxide, carbon dioxide.
Hazardous Polymerization Has not been reported.
First Aid Measures of Methyl benzenecarboxylate (CAS NO.93-58-3):
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water.
Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician: Treat symptomatically and supportively.
Handling and Storage of Methyl benzenecarboxylate (CAS NO.93-58-3):
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.

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