Ethyl 2-methylbenzoate

Basic Information

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CAS Number

87-24-1

Molecular Formula

C10H12O2

Molecular Weight

164.2 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

Melting Point

Not available

Boiling Point

227°C

Density

1.032

Flash Point

91 ºC

Refractive Index

1.507-1.509

Vapor Pressure

0.1±0.4 mmHg at 25°C

SMILES

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CCOC(=O)C1=CC=CC=C1C

InChI

InChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3

InChIKey

SOUAXOGPALPTTC-UHFFFAOYSA-N

LogP

2.1717200000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

154

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

DTXSID4040711
Ethyl 2-methylbenzoate
ETHYL-O-METHYL BENZOATE
NCGC00164111-01
384Q41M534
Ethylo-Toluate
87-24-1
DTXCID2020711
2-Methylbenzoic Acid Ethyl Ester
Ethyl orthotoluate
ethyl-o-toluate
UNII-384Q41M534
Tox21_302249
ethyl 2-toluate
2-methyl-benzoic acid ethyl ester
NSC29048
Benzoic acid, 2-methyl-, ethyl ester
o-Toluic acid, ethyl ester
NSC 29048
o-Toluic acid ethyl ester
o-Toluylic acid, ethyl ester
AI3-04247
CAS-87-24-1
SCHEMBL1569293
Ethyl2-methylbenzoate
CHEMBL1882976
T0294
CS-0151742
FT-0626356
InChI=1/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
MFCD00009112

MDL Number

MFCD00009112

Customs Code

2916399090

FAQ

What regulatory guidelines apply to Ethyl 2-methylbenzoate (CAS: 87-24-1)?

Ethyl 2-methylbenzoate (CAS: 87-24-1) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a Category 3 skin irritant. It is also subject to the REACH regulations in the European Union, which requires manufacturers and importers to register substances above a certain tonnage threshold. In the United States, FDA regulations may apply for food contact materials, while EPA regulations might be relevant for environmental protection and waste management.

Are there alternatives to Ethyl 2-methylbenzoate (CAS: 87-24-1) in synthesis?

While Ethyl 2-methylbenzoate (CAS: 87-24-1) is a common intermediate in organic synthesis, alternatives such as phenethyl acetate or other esters may be used depending on the desired properties. Isomers like 2-ethyl-3-methylbenzoate can also be considered. For synthetic equivalents, it's important to evaluate the solubility, reactivity, and cost-effectiveness of each option.

What is the market or research trend for Ethyl 2-methylbenzoate (CAS: 87-24-1)?

The market for Ethyl 2-methylbenzoate (CAS: 87-24-1) is steadily growing, driven by its use in perfumery and flavoring agents. Research trends indicate a focus on sustainable alternatives and less volatile organic compounds (VOCs). Emerging studies are exploring its potential in pharmaceutical applications and as a green solvent. Market dynamics are influenced by regulatory changes and consumer demand for more environmentally friendly products.

How should waste containing Ethyl 2-methylbenzoate (CAS: 87-24-1) be handled?

Waste containing Ethyl 2-methylbenzoate (CAS: 87-24-1) should be collected in appropriate containers and stored in a well-ventilated area. Incineration or professional waste disposal services are recommended to ensure proper destruction. Environmental protection measures include monitoring emissions and adhering to local waste disposal regulations. It's crucial to avoid direct contact and ensure waste is disposed of in accordance with GHS guidelines and EPA regulations.