3-Acetoxy-2-methylbenzoic acid

Basic Information

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CAS Number

168899-58-9

Molecular Formula

C10H10O4

Molecular Weight

194.19 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

148.0 to 152.0 deg-C

SMILES

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

InChI

InChI=1S/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)

InChIKey

LHVJUPHCLWIPLZ-UHFFFAOYSA-N

LogP

1.61852

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

236

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Benzoic acid, 3-(acetyloxy)-2-methyl-
AS-8194
3-Acetoxy-2-methylbenzoic acid, 97%
AB07799
MFCD00957176
SCHEMBL6178884
FT-0614864
FT-0614865
InChI=1/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13
AKOS015888713
3-(ACETYLOXY)-2-METHYLBENZOIC ACID
D88450
A811035
EN300-7368674
3-Acetoxy-2-methylbenzoic acid
3-Acetoxy-o-toluic Acid
3-Acetoxy-2-Methyl-Benzoic Acid
3-Acetoxy-2-methyl benzoic acid
DTXSID30396569
3-acetyloxy-2-methylbenzoic acid
CS-0128915
LHVJUPHCLWIPLZ-UHFFFAOYSA-N
AC-594
168899-58-9
AMBA
3-ACETOXY-O-TOLUIC ACID
2-METHYL-3-ACETOXYBENZOIC ACID
3-Acetoxy-2-methylbenzoic
3-Acetoxy-2-methylbenzoic acid (AMBA)
2-methyl-3-acetoxy benzoic acid(3-acetoxy -2-methylbenzoic acid)
3-(Acetyloxy)-2-methylbenzoic acid

MDL Number

MFCD00957176

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 3-Acetoxy-2-methylbenzoic acid (CAS: 168899-58-9)?

3-Acetoxy-2-methylbenzoic acid (CAS: 168899-58-9) falls under the jurisdiction of multiple regulatory bodies. It is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a Category 3 sensitiser. In the European Union, it must comply with REACH regulations, which require registration for substances above 1 tonne per year. Additionally, for use in the United States, it must meet FDA and EPA requirements, including reporting of significant new use notifications and potential listing as a hazardous substance under the Toxic Substances Control Act (TSCA).

Are there alternatives to 3-Acetoxy-2-methylbenzoic acid (CAS: 168899-58-9) in synthesis?

3-Acetoxy-2-methylbenzoic acid (CAS: 168899-58-9) can be synthesized from various starting materials, and there are alternative reagents that can be used to achieve similar functionalities. For instance, 2-methylbenzoic acid can be used in combination with acetic anhydride to produce a similar compound. Other alternatives include using acetyl chloride with 2-methylbenzoic anhydride. These alternatives may offer varying reaction efficiencies and environmental impacts, depending on the specific application.

What is the market or research trend for 3-Acetoxy-2-methylbenzoic acid (CAS: 168899-58-9)?

The market for 3-Acetoxy-2-methylbenzoic acid (CAS: 168899-58-9) is driven by its use in pharmaceuticals and organic synthesis. Recent research trends focus on its application in drug discovery and development, particularly as an intermediate in the synthesis of certain medications. Market trends show a steady demand, with potential growth due to increasing pharmaceutical R&D activities. However, the trend is closely linked to the global pharmaceutical industry's pace and regulatory changes.

How should waste containing 3-Acetoxy-2-methylbenzoic acid (CAS: 168899-58-9) be handled?

Waste containing 3-Acetoxy-2-methylbenzoic acid (CAS: 168899-58-9) should be managed according to local environmental regulations. It is recommended to collect and store the waste in appropriate containers to prevent spillage and ensure containment. For disposal, the waste should be sent to a licensed hazardous waste facility for incineration or other professional waste disposal methods. To minimize environmental impact, use appropriate protective measures during handling and ensure compliance with all regulatory requirements, including the proper labeling and documentation of waste generation and disposal activities.