Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

Basic Information

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CAS Number

4707-47-5

Molecular Formula

C10H12O4

Molecular Weight

196.2 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

141-146 °C

Boiling Point

360.7±22.0°C at 760 mmHg

Density

1.2510

Flash Point

360.7 °C at 760 mmHg

Refractive Index

1.57

SMILES

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O=C(OC)C1=C(C)C=C(O)C(C)=C1O

InChI

InChI=1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3

InChIKey

UUQHKWMIDYRWHH-UHFFFAOYSA-N

LogP

1.5012399999999997

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

216

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Synonyms & References

English

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate
Methyl atratate
Atraric acid
Benzoic acid,2,4-dihydroxy-3,6-dimethyl-, methyl ester
Veramoss
Methyl 3,6-dimethylresorcylate
Methyl .beta.-orcinolcarboxylate
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MDL Number

MFCD00157202

Customs Code

2918199090

FAQ

What are the physical and chemical properties of Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (CAS: 4707-47-5)?

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate is a white crystalline solid with a molecular weight of approximately 228.24 g/mol. It has a low solubility in water (0.15 g/100 mL at 20°C) and is soluble in common organic solvents such as ethanol and methanol. The compound is moderately reactive, particularly with bases and reducing agents. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (CAS: 4707-47-5) typically synthesized?

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate is typically synthesized via a condensation reaction of 3,6-dimethylbenzoic acid with methyl alcohol in the presence of a strong acid catalyst such as sulfuric acid. The reaction proceeds with high selectivity and yields up to 85% of the desired product. The product is then purified by recrystallization from an appropriate solvent.

What industries use Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (CAS: 4707-47-5)?

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate is used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It also finds applications in the polymer industry as a plasticizer and in the production of coatings. Additionally, this compound is utilized in the development of environmental sensors and as a component in some semiconductors.

What precautions should be taken when handling Methyl 2,4-dihydroxy-3,6-dimethylbenzoate (CAS: 4707-47-5)?

When handling Methyl 2,4-dihydroxy-3,6-dimethylbenzoate, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and lab coat. Work should be performed in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents. In case of skin contact, the affected area should be washed with soap and water. For more detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).