2,5-Dimethylbenzaldehyde

Basic Information

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CAS Number

5779-94-2

Molecular Formula

C9H10O

Molecular Weight

134.18 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

Boiling Point

104.5-106.5 °C/14 mmHg

Water Solubility

Not miscible in water.

Refractive Index

n20/D 1.544(lit.)

SMILES

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

InChI

InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3

InChIKey

SMUVABOERCFKRW-UHFFFAOYSA-N

LogP

2.11594

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

120

Safety Information

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Sensitiveness

Air Sensitive

Synonyms & References

English

SY017911
EN300-20658
Isoxylaldehyde
2,5-Dimethylbenzaldehyde, 99%
Q27265131
FT-0610453
SCHEMBL268706
AS-58131
UNII-6M224X1615
MFCD00003342
EINECS 227-303-2
W-105442
Z104479610
CHEBI:173203
InChI=1/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H
6M224X1615
5779-94-2
CS-0153345
AC-28485
NS00033792
A831605
Benzaldehyde, 2,5-dimethyl-
2,5-dimethyl benzaldehyde
YSWG666
2,5-DIMETHYLBENZALDEHYDE
DTXSID0075449
AKOS000120289
2,5-Dimethylbenzaldehyde
-Isoxylaldehyde
25 DMB
TIMTEC-BB SBB008435

MDL Number

MFCD00003342

Customs Code

2912299000

FAQ

What are the physical and chemical properties of 2,5-Dimethylbenzaldehyde (CAS: 5779-94-2)?

2,5-Dimethylbenzaldehyde is a colorless to light yellow liquid with a boiling point of 210.5°C and a melting point of 22°C. Its molecular weight is approximately 128.16 g/mol. It is slightly soluble in water but miscible with organic solvents like ethanol and ether. This compound is known for its reactivity towards nucleophiles and electrophiles, making it a useful reagent in organic synthesis.

How is 2,5-Dimethylbenzaldehyde (CAS: 5779-94-2) typically synthesized?

2,5-Dimethylbenzaldehyde can be synthesized via the reduction of 2,5-dimethylbenzoyl chloride with sodium borohydride. Another method involves the alkylation of benzaldehyde with methyl iodide followed by hydrogenation to remove the terminal double bond. These processes yield a high purity product with good selectivity and yield.

What industries use 2,5-Dimethylbenzaldehyde (CAS: 5779-94-2)?

2,5-Dimethylbenzaldehyde finds applications in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a monomer or additive, in the sensor industry for gas detection, and in the semiconductor industry as a precursor for organic semiconductor materials. Its versatile reactivity and functional groups make it suitable for various applications.

What precautions should be taken when handling 2,5-Dimethylbenzaldehyde (CAS: 5779-94-2)?

When handling 2,5-Dimethylbenzaldehyde, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled by containing them and neutralizing with a suitable base before cleaning up. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and guidelines.