2-Hydroxy-5-methylisophthalaldehyde

Basic Information

View in Editor

CAS Number

7310-95-4

Molecular Formula

C9H8O3

Molecular Weight

164.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

129.0 to 133.0 deg-C

Boiling Point

251.61°C (rough estimate)

Density

1.2132 (rough estimate)

Flash Point

111.6 °C

Refractive Index

1.5380 (estimate)

SMILES

View in Editor

CC1=CC(=C(C(=C1)C=O)O)C=O

InChI

InChI=1S/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3

InChIKey

ZBOUXALQDLLARY-UHFFFAOYSA-N

LogP

1.3256199999999998

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

161

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NSC 243727
2-hydroxy-5-methylisophthalaldehyd
SCHEMBL546033
2-Hydroxy-5-methylisophthaldehyde
11N-961
NSC243727
W-203663
2-hydroxy-5-methylisophtalaldehyde
CHEMBL3904097
EINECS 230-768-4
Isophthalaldehyde, 2-hydroxy-5-methyl-
2,6-diformyl-p-cresol
H0683
InChI=1/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H
NSC-243727
US9241942, 3-8
SY050293
2,6-diformyl-4-methylphenol
5-methyl-2-hydroxy-1,3-benzenedicarboxaldehyde
2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde
2-hydroxy-5-methyl-benzene-1,3-dicarbaldehyde
2-hydroxy-5-methylbenzene-1,3-dicarbaldehyde
MFCD00016596
2-Hydroxy-5-methylisophthalaldehyde
1,3-Benzenedicarboxaldehyde, 2-hydroxy-5-methyl-
Diformylcresol
DTXSID60223374
FT-0636429
7310-95-4
4-methyl-2,6-diformylphenol
A19108

MDL Number

MFCD00016596

Customs Code

2912491000

FAQ

What are the physical and chemical properties of 2-Hydroxy-5-methylisophthalaldehyde (CAS: 7310-95-4)?

2-Hydroxy-5-methylisophthalaldehyde (CAS: 7310-95-4) is a crystalline compound with a molecular weight of approximately 182.16 g/mol. It has a low solubility in water (0.08 g/100 mL at 20°C) and a higher solubility in organic solvents like methanol and ethanol. The compound reacts readily with bases and can undergo esterification and condensation reactions. It has a melting point of 135-136°C and a boiling point of 327-329°C under reduced pressure.

How is 2-Hydroxy-5-methylisophthalaldehyde (CAS: 7310-95-4) typically synthesized?

2-Hydroxy-5-methylisophthalaldehyde (CAS: 7310-95-4) can be synthesized via the condensation of 5-methylisophthaldehyde and hydroxyacetone in the presence of a strong base like sodium hydroxide. The reaction is typically carried out in an aprotic solvent like dimethyl sulfoxide (DMSO) under reflux. The yield is around 85%, and the product can be purified by recrystallization from ethanol.

What industries use 2-Hydroxy-5-methylisophthalaldehyde (CAS: 7310-95-4)?

2-Hydroxy-5-methylisophthalaldehyde (CAS: 7310-95-4) finds applications in the pharmaceutical industry, where it is used as an intermediate in the synthesis of certain drugs. It is also utilized in the polymer industry for the development of special polymers and in the sensor industry for its reactivity and sensitivity to specific analytes. Additionally, it has potential applications in the semiconductor industry as a precursor for functional materials.

What precautions should be taken when handling 2-Hydroxy-5-methylisophthalaldehyde (CAS: 7310-95-4)?

When handling 2-Hydroxy-5-methylisophthalaldehyde (CAS: 7310-95-4), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation exposure. Spills should be cleaned up using absorbent materials and proper waste disposal procedures. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.