Methyl 3-methyl-2-furoate

Basic Information

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CAS Number

6141-57-7

Molecular Formula

C7H8O3

Molecular Weight

140.14 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

36.0 to 40.0 deg-C

Boiling Point

74°C/8mmHg

Density

1.1624 (rough estimate)

Water Solubility

Insoluble in water.

Refractive Index

1.4850 (estimate)

SMILES

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CC1=C(OC=C1)C(=O)OC

InChI

InChI=1S/C7H8O3/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3

InChIKey

AQQYRDKMXXSIMP-UHFFFAOYSA-N

LogP

1.37462

Topological Polar Surface Area

39.44 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

133

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Sensitiveness

Sensitive to light

Synonyms & References

English

DTXSID10976969
NSC508754
A8518
3-Methyl-2-furoic Acid Methyl Ester
methyl 3-methylfuran-2-carboxylate;Methyl 3-Methyl-2-furancarboxylate
TS-01822
MFCD00014110
6141-57-7
CS-W001241
NS00045561
AC-26703
Z209835796
3-methyl-2-furoic acid, methyl ester
SY048278
methyl3-methylfuran-2-carboxylate
F16312
2-Furancarboxylic acid, 3-methyl-, methyl ester
NSC-508754
M2377
EN300-43243
Methyl 3-methylfuroate
methyl 3-methylfuran-2-carboxylate
methyl 3-methyl-2-furancarboxylate
Furancarboxylic acid, methyl-, methyl ester
3-methyl-furan-2-carboxylic acid methyl ester
SCHEMBL43076
3-Methyl-2-furancarboxylic Acid Methyl Ester
NCIOpen2_003734
Methyl 3-methyl-2-furoate
methyl-3-methyl-2-furoate
GEO-01874

MDL Number

MFCD00014110

Customs Code

2932190090

FAQ

What regulatory guidelines apply to Methyl 3-methyl-2-furoate (CAS: 6141-57-7)?

Methyl 3-methyl-2-furoate (CAS: 6141-57-7) is regulated under various guidelines such as GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for classification and labeling. In Europe, it is subject to REACH regulations. FDA and EPA have specific requirements for the handling and use of this compound in cosmetics and food additives. Proper storage and disposal must comply with local and international environmental protection laws.

Are there alternatives to Methyl 3-methyl-2-furoate (CAS: 6141-57-7) in synthesis?

There are several alternatives to Methyl 3-methyl-2-furoate (CAS: 6141-57-7) in synthesis, including other methyl derivatives of furan or related compounds. Common alternatives often include methyl furanoate and methyl 2-nitrofuran-3-carboxylate. These alternatives may offer similar properties or can be used based on specific reaction conditions and desired end products.

What is the market or research trend for Methyl 3-methyl-2-furoate (CAS: 6141-57-7)?

The market for Methyl 3-methyl-2-furoate (CAS: 6141-57-7) is growing due to its use in fragrances, flavorings, and other cosmetic applications. Research trends focus on its potential in new fragrance blends and as a safe alternative to other compounds. The compound is also being studied for its potential in food additives and as a flavor enhancer, with increasing demand driven by consumer preferences for natural and safe ingredients.

How should waste containing Methyl 3-methyl-2-furoate (CAS: 6141-57-7) be handled?

Waste containing Methyl 3-methyl-2-furoate (CAS: 6141-57-7) should be collected in a closed container and stored in a cool, well-ventilated area away from heat and ignition sources. Incineration can be a safe disposal method, but professional waste disposal services are recommended. Environmental protection measures include ensuring no spillage and proper containment to prevent soil or water contamination. Always follow local regulations and guidelines for hazardous waste disposal.