Methyl 3,5-dihydroxybenzoate

Basic Information

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CAS Number

2150-44-9

Molecular Formula

C8H8O4

Molecular Weight

168.15 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

Melting Point

167-170 °C

Boiling Point

349.4℃ at 760 mmHg

Water Solubility

Slightly soluble in water.

Flash Point

147.6℃

Refractive Index

1.5090 (estimate)

SMILES

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COC(=O)C1=CC(=CC(=C1)O)O

InChI

InChI=1S/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3

InChIKey

RNVFYQUEEMZKLR-UHFFFAOYSA-N

LogP

0.8843999999999999

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

158

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

.alpha.-Resorcylic acid, methyl ester
Methyl 3,5-hydroxybenzoate
AC-14419
methyl3,5-dihydroxybenzoate
Benzoic acid, 3,5-dihydroxy-, methyl ester
AKOS000120618
methyl 3,5-dihydroxylbenzoate
EN300-21069
3,5-Dihydroxybenzoic acid methyl ester
W-107549
NSC-61082
METHYL-3,5-DIHYDROXYBENZOATE
FT-0614622
3,5-dihydroxy-benzoic acid methyl ester
alpha-Resorcylic Acid Methyl Ester
3,5-Dihydroxy benzoic acid methyl ester
41U1BRD8AX
PS-4371
SY001681
MFCD00002289
alpha-Resorcylic acid, methyl ester
SCHEMBL38869
F3308-4032
BDBM50428392
Methyl alpha-resorcylate
NS00026883
AN-651/43112578
Z104487920
EINECS 218-426-2
Benzoic acid,5-dihydroxy-, methyl ester
AMY30290

MDL Number

MFCD00002289

Customs Code

2918290000

FAQ

What regulatory guidelines apply to Methyl 3,5-dihydroxybenzoate (CAS: 2150-44-9)?

Methyl 3,5-dihydroxybenzoate (CAS: 2150-44-9) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication elements such as Porghs, signal words, and pictograms. In the European Union, it is also subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for the handling, storage, and disposal of this compound.

Are there alternatives to Methyl 3,5-dihydroxybenzoate (CAS: 2150-44-9) in synthesis?

Methyl 3,5-dihydroxybenzoate (CAS: 2150-44-9) can be synthesized as an alternative to other similar compounds like methyl 3,4-dihydroxybenzoate or methyl 2,5-dihydroxybenzoate. In certain applications, isomers or analogs such as 2,4-dihydroxybenzoic acid or 3,4-dihydroxybenzoic acid might be considered. Common alternative reagents used in synthesis include sodium hydroxide, sulfuric acid, and various coupling agents, depending on the specific reaction conditions.

What is the market or research trend for Methyl 3,5-dihydroxybenzoate (CAS: 2150-44-9)?

The market for methyl 3,5-dihydroxybenzoate (CAS: 2150-44-9) is driven by its use in pharmaceuticals, cosmetics, and as an intermediate in organic synthesis. Research trends are focused on developing safer and more sustainable synthesis methods, exploring new applications in drug delivery systems, and understanding its impact on human health and the environment. Recent studies have also shown potential in environmental remediation and as a biodegradable material.

How should waste containing Methyl 3,5-dihydroxybenzoate (CAS: 2150-44-9) be handled?

Waste containing methyl 3,5-dihydroxybenzoate (CAS: 2150-44-9) should be collected in appropriate containment, ensuring no spillage or leakage. It should be neutralized with a basic solution if necessary, and then disposed of through a regulated waste disposal service. Incineration is a common method for disposal, but it should be conducted in an environmentally controlled incinerator. For hazardous waste, professional waste disposal companies that specialize in chemical waste should be contacted to ensure compliance with local and national regulations.