O-Tolyl acetate

Basic Information

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CAS Number

533-18-6

Molecular Formula

C9H10O2

Molecular Weight

150.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

210 ºC (760 Torr)

Flash Point

84.0±7.7 ºC,

Refractive Index

1.5030 (589.3 nm 20 ºC)

SMILES

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CC1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3

InChIKey

AMZORBZSQRUXNC-UHFFFAOYSA-N

LogP

1.92032

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

143

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

Acetic acid,2-methylphenyl ester
o-Tolyl Acetate
2-acetoxytoluene
2-METHYL PHENYL ACETATE
Acetic Acid o-Cresyl Ester
acetic acid o-tolyl ester
Acetyl-o-cresol
FEMA 3072
o-Acetoxytoluene
o-CH3C6H4OAc
o-Cresol acetate
o-Cresyl Acetate
o-Cresylic acetate
o-Methylphenyl acetate
o-methyl-PhOAc
ORTHO-TOLYLACETATE
NSC 58961
NSC 6257
2-Methylphenyl acetate
Acetic acid, o-tolyl ester
Tolyl acetate
(2-methylphenyl) acetate
4-Cresyl acetate
O-CRESOLACETATE
Acetic acid 2-methylphenyl ester
Acetic acid, methylphenyl ester
AMZORBZSQRUXNC-UHFFFAOYSA-N
606K99GR0L
Acetic acid, o-tolyl ester (8CI)
2-Me
Acetic Acid o-Tolyl Ester

MDL Number

MFCD00053704

Customs Code

2915390090

FAQ

What are the physical and chemical properties of O-Tolyl acetate (CAS: 533-18-6)?

O-Tolyl acetate (CAS: 533-18-6) is a colorless to pale yellow liquid with a density of approximately 0.92 g/cm³ and a molecular weight of 148.18 g/mol. It has a strong fruity odor. The compound is miscible with water and readily soluble in organic solvents such as ethanol and acetone. It is moderately reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from heat and sources of ignition.

How is O-Tolyl acetate (CAS: 533-18-6) typically synthesized?

O-Tolyl acetate (CAS: 533-18-6) can be synthesized by the acetylation of o-toluidine with acetic anhydride in the presence of a catalyst like pyridine. The reaction is typically carried out at room temperature and atmospheric pressure. The yield is usually around 85-90%. Other methods include using acetyl chloride with a Lewis acid catalyst, which provides higher selectivity and yields.

What industries use O-Tolyl acetate (CAS: 533-18-6)?

O-Tolyl acetate (CAS: 533-18-6) is used in the fragrance and flavor industry as a synthetic component of perfumes and food additives. It is also utilized in the pharmaceutical industry for the synthesis of certain drugs, and in the polymer industry as a monomer or plasticizer. Additionally, it finds applications in the production of sensors and semiconductors due to its chemical stability and reactivity.

What precautions should be taken when handling O-Tolyl acetate (CAS: 533-18-6)?

When handling O-Tolyl acetate (CAS: 533-18-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, followed by rinsing with water. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions. Keep the substance away from heat and sources of ignition to prevent fire hazards.