5-Methyl-2-furoic acid

Basic Information

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CAS Number

1917-15-3

Molecular Formula

C6H6O3

Molecular Weight

126.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

110 °C

Boiling Point

236.9°C at 760 mmHg

Flash Point

97.1°C

Refractive Index

1.4676 (estimate)

SMILES

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CC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)

InChIKey

OVOCLWJUABOAPL-UHFFFAOYSA-N

LogP

1.28622

Topological Polar Surface Area

50.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

122

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

RS-0369
2K1
OVOCLWJUABOAPL-UHFFFAOYSA-N
DTXSID5021627
5-Methylfuran-2-carboxylicacid
Tox21_202200
2-Furancarboxylic acid, 5-methyl-
CAS-1917-15-3
5-methyl-2-furoic acid
FT-0620607
BB 0219916
5-Methyl-2-furoic acid, 97%
CHEBI:89918
Q27162102
1917-15-3
W-200194
5-methyl-2-furanecarboxylic acid
5-Methylpyromucic acid
A4228
Z56895714
UNII-3J3M51P3V4
5-Methyl-furan-2-carboxylic acid
SCHEMBL143244
3J3M51P3V4
NS00124211
AM20090119
EN300-05385
NCGC00256378-01
BP-10492
MFCD00092359
AKOS000295878

MDL Number

MFCD00092359

Customs Code

2932190090

FAQ

What regulatory guidelines apply to 5-Methyl-2-furoic acid (CAS: 1917-15-3)?

5-Methyl-2-furoic acid (CAS: 1917-15-3) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is also subject to regulations under REACH in the European Union, where manufacturers and importers must register the substance if it meets the tonnage threshold. FDA and EPA guidelines may apply based on its intended use in the US, such as in pharmaceuticals or pesticides.

Are there alternatives to 5-Methyl-2-furoic acid (CAS: 1917-15-3) in synthesis?

Several alternatives can be used in the synthesis of 5-Methyl-2-furoic acid (CAS: 1917-15-3), such as other carboxylic acids or their derivatives. For instance, 2-furoic acid can be methylated directly or through a series of reactions using methylating agents like methyl iodide or methyl triflate.

What is the market or research trend for 5-Methyl-2-furoic acid (CAS: 1917-15-3)?

5-Methyl-2-furoic acid (CAS: 1917-15-3) is gaining interest in pharmaceutical and chemical research for its potential in drug development, particularly as a precursor or for use in organic synthesis. Market trends suggest increasing demand due to its versatile applications in various industries, including pharmaceuticals and biotechnology.

How should waste containing 5-Methyl-2-furoic acid (CAS: 1917-15-3) be handled?

Waste containing 5-Methyl-2-furoic acid (CAS: 1917-15-3) should be collected in compatible containers and properly labeled. Safe disposal methods include incineration or professional waste disposal services. Environmental protection measures should be taken to prevent contamination, and local regulations and guidelines must be followed for disposal.