3-(3,5-Dimethoxyphenyl)propanoic acid

Basic Information

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CAS Number

717-94-2

Molecular Formula

C11H14O4

Molecular Weight

210.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Solid

Melting Point

99 °C

Boiling Point

363.8℃ at 760 mmHg

Flash Point

141.1℃

SMILES

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COC1=CC(=CC(=C1)CCC(=O)O)OC

InChI

InChI=1S/C11H14O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h5-7H,3-4H2,1-2H3,(H,12,13)

InChIKey

LMBOJOXVLORKSQ-UHFFFAOYSA-N

LogP

1.7209999999999999

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

193

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-(3,5-Dimethoxyphenyl)propionicacid
3-(3,5-dimethoxyphenyl)propanoic Acid
AKOS000212464
3-(3,5-DIMETHOXYPHENYL)PROPIONIC ACID
AM20061077
717-94-2
MFCD03425685
Benzenepropanoic acid, 3,5-dimethoxy-
3,5-DIMETHOXYPHENYLPROPIONIC ACID
3-(3,5-Dimethoxy-phenyl)-propionic acid
FT-0602137
CS-W003065
LMBOJOXVLORKSQ-UHFFFAOYSA-N
SY016144
EN300-14823
3-methoxy-3-(3-methoxyphenyl)propanoic acid;3-(3,5-Dimethoxyphenyl)propionic acid
DTXSID10397630
AC-29045
Z104511174
3-(P-CHLOROPHENOXY)PROPIONICACID
SCHEMBL490401
3,5-dimethoxyphenylpropanoic acid
3-(3,5-dimethoxyphenyl) propionic acid
PS-3439
A837332
3-(3,5-Dimethoxyphenyl)propionic acid
3-(3,5-dimethoxyphenyl)propanoic acid
3,4-Dimethoxyhydrocinnamic acid
3,5-Dimethoxybenzenepropionic acid
SBB017770
VZ25967

MDL Number

MFCD03425685

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 3-(3,5-Dimethoxyphenyl)propanoic acid (CAS: 717-94-2)?

3-(3,5-Dimethoxyphenyl)propanoic acid (CAS: 717-94-2) is subject to various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it may require specific hazard communication labels. In the European Union, it falls under the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its handling, storage, and disposal. Always check the most recent regulatory updates to ensure compliance.

Are there alternatives to 3-(3,5-Dimethoxyphenyl)propanoic acid (CAS: 717-94-2) in synthesis?

There are alternative reagents that can be used in place of 3-(3,5-Dimethoxyphenyl)propanoic acid (CAS: 717-94-2). For instance, other carboxylic acids with similar functional groups can serve as precursors. Common alternatives include 2,4-Dimethoxybenzoic acid or other substituted benzoic acids, which can be used in similar synthetic pathways. The choice of alternative depends on the specific requirements of the synthesis and the desired properties of the final product.

What is the market or research trend for 3-(3,5-Dimethoxyphenyl)propanoic acid (CAS: 717-94-2)?

The market for 3-(3,5-Dimethoxyphenyl)propanoic acid (CAS: 717-94-2) is driven by its use in pharmaceuticals, agrochemicals, and functional materials. Research trends indicate growing interest in its application for synthesizing active pharmaceutical ingredients (APIs) and as a precursor in organic synthesis. The demand is expected to rise due to its versatile reactivity and potential in developing new chemical entities. Market analysis suggests a steady increase in demand, with ongoing research focusing on optimizing synthetic routes and exploring new applications.

How should waste containing 3-(3,5-Dimethoxyphenyl)propanoic acid (CAS: 717-94-2) be handled?

Waste containing 3-(3,5-Dimethoxyphenyl)propanoic acid (CAS: 717-94-2) should be collected and disposed of in accordance with local and national regulations. Proper handling involves neutralizing the waste to prevent hazardous reactions and then incineration in a controlled environment or professional waste disposal services. Environmental protection precautions include using appropriate personal protective equipment (PPE) and ensuring that the waste does not contaminate soil or water. Always consult local waste management guidelines to ensure compliance with safety and environmental standards.