3,5-Dimethylbenzaldehyde

Basic Information

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CAS Number

5779-95-3

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

Melting Point

9°C

Boiling Point

108°C/17mmHg

Water Solubility

Not miscible with water.

Refractive Index

n20/D 1.538(lit.)

SMILES

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

InChI

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

InChIKey

NBEFMISJJNGCIZ-UHFFFAOYSA-N

LogP

2.11594

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

110

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

Sensitiveness

Air Sensitive

Synonyms & References

English

3,5-DiMethyl-Benzaldehyde
PD166616
F8880-1625
HY-W002343
Benzaldehyde, 3,5-dimethyl-
AM20060352
A831606
GS-3349
m-Xylene-5-carboxaldehyde
3,5-Dimethylbenzaldehyde, 97%
3,5-Dimethylbenzaldehyde #
SY017857
3,5-Dimethyl benzaldehyde
CS-W002343
Z838973254
AKOS005259237
MFCD00082777
AB03134
3 pound not5-dimethylbenzaldehyde
FT-0614687
EN300-55729
5779-95-3
3,5-dimehtylbenzaldehyde
D3498
3,5-Dimethylbenzaldehyde
DTXSID00206484
SCHEMBL280640
M-XYLENE-5-CARBOXALDEHYDE
3,5-Dimethyl-benzaldehyd
3,5-Dimethyl-benzaldehyde
3,5-dimethylbenzaledehyde

MDL Number

MFCD00082777

Customs Code

2912299000

FAQ

What are the physical and chemical properties of 3,5-Dimethylbenzaldehyde (CAS: 5779-95-3)?

3,5-Dimethylbenzaldehyde (CAS: 5779-95-3) is a clear liquid with a molecular weight of 128.17 g/mol. Its density is 1.085 g/cm³ and it has a melting point of -15°C and a boiling point of 178°C. It is slightly soluble in water but miscible with most organic solvents. It is moderately reactive, particularly with nucleophiles, and can be used in various organic reactions.

How is 3,5-Dimethylbenzaldehyde (CAS: 5779-95-3) typically synthesized?

3,5-Dimethylbenzaldehyde (CAS: 5779-95-3) can be synthesized via the reduction of 3,5-dimethylbenzoyl chloride with sodium borohydride or by the addition of methyl Grignard reagent to 3,5-dimethylbenzoic anhydride. The synthesis typically involves mild conditions to ensure high selectivity and yield without over-reduction.

What industries use 3,5-Dimethylbenzaldehyde (CAS: 5779-95-3)?

3,5-Dimethylbenzaldehyde (CAS: 5779-95-3) is used in the perfume and fragrance industry due to its pleasant aroma. It also has applications in the pharmaceutical industry as a precursor for certain compounds. Additionally, it is used in the production of dyes, pigments, and as an intermediate in the synthesis of polymers and sensors.

What precautions should be taken when handling 3,5-Dimethylbenzaldehyde (CAS: 5779-95-3)?

When handling 3,5-Dimethylbenzaldehyde (CAS: 5779-95-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a well-ventilated area and avoid contact with skin and eyes. Use a fume hood during its manipulation. In case of a spill, neutralize with a basic solution and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.