(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde

Basic Information

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CAS Number

4206-58-0

Molecular Formula

C11H12O4

Molecular Weight

208.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Yellow powder

Melting Point

104-106 °C

Boiling Point

372.3±37.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

146.3±20.0 °C

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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COc1cc(C=CC=O)cc(OC)c1O

InChI

InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+

InChIKey

CDICDSOGTRCHMG-ONEGZZNKSA-N

LogP

1.6215

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

213

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

Synonyms & References

English

2-Propenal,3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-
Sinapaldehyde
Sinapinaldehyde
SINAPINALDEHYDE(RG)
TRANS-3,5-DIMETHOXY-4-HYDROXY
trans-3.5-Dimethoxy-4-hydroxycinnamaldehyde
Trans-3,5-Dimethoxy-4-Hydroxy Cinnamaldehyde
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MDL Number

MFCD00075980

Customs Code

2912499000

FAQ

What regulatory guidelines apply to (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde (CAS: 4206-58-0)?

Regulatory guidelines for (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde (CAS: 4206-58-0) include GHS classification, which categorizes it as hazardous due to its flammability and skin irritation properties. REACH regulations require manufacturers and importers to register the substance if produced or imported in quantities above one tonne per year. FDA and EPA regulations may also apply based on its use in pharmaceuticals, cosmetics, and consumer products, respectively, with specific reporting and testing requirements.

Are there alternatives to (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde (CAS: 4206-58-0) in synthesis?

Alternatives to (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde (CAS: 4206-58-0) in synthesis include similar compounds such as (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylaldehyde or (2E)-3-(3,4-dimethoxyphenyl)acrylaldehyde. Isomers like (2Z)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde are also available. In some cases, reagents such as (2E)-3-(4-hydroxyphenyl)acrylaldehyde or other aldehydes can serve as substitutes, depending on the specific reaction conditions and desired product profiles.

What is the market or research trend for (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde (CAS: 4206-58-0)?

The market for (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde (CAS: 4206-58-0) is driven by its applications in the pharmaceutical and cosmetic industries. Research trends focus on its potential as a precursor for natural product synthesis and as an intermediate in the development of new drugs. Market trends indicate a growing interest in sustainable and eco-friendly synthesis methods, alongside increasing demand for dermatologically safe ingredients in cosmetics. However, due to its chemical complexity, challenges remain in large-scale production and its environmental impact.

How should waste containing (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde (CAS: 4206-58-0) be handled?

Waste containing (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde (CAS: 4206-58-0) should be collected in appropriate containers and stored in a controlled environment to prevent exposure to air, moisture, and light, which can affect its stability. Incineration is a common method for disposal, but professional waste disposal services are recommended for handling hazardous waste. Environmental protection precautions include ensuring that waste is treated in accordance with local regulations and that all containers are properly labeled. Proper documentation of waste disposal procedures is essential for compliance with regulatory requirements.