3-(3,4-Dimethoxyphenyl)propanoic acid

Basic Information

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CAS Number

2107-70-2

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

Melting Point

98.0 to 101.0 deg-C

Boiling Point

344.2℃ at 760 mmHg

Flash Point

132℃

Refractive Index

1.5384 (estimate)

SMILES

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

InChI

InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)

InChIKey

LHHKQWQTBCTDQM-UHFFFAOYSA-N

LogP

1.7209999999999999

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

205

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

KUC108681N
DB04208
.BETA.-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID
Q27095035
HMS2761I14
STR05305
D1953
A24438
Benzenepropanoic acid, 3,4-dimethoxy-
UNII-6XO32ZSP1D
3,4-DIMETHOXYBENZENEPROPIONIC ACID
AB00263
SY004783
Oprea1_529953
EINECS 218-288-3
3-(3,4-Dimethoxyphenyl)propanonic acid
CHEMBL458049
J-510579
MLS000779082
MFCD00002774
FT-0613604
NS00026781
EN300-18221
CS-W008790
SCHEMBL347209
CHEBI:44235
3,4-Dimethoxy-Hydrocinnamic Acid
3,4-dimethoxy-alpha-beta-dihydrocinnamic acid
AC-3251
3-(3,4-Dimethoxyphenyl)propanoic acid
PS-4041

MDL Number

MFCD00002774

Customs Code

2918990090

FAQ

What is 3-(3,4-Dimethoxyphenyl)propanoic acid (CAS: 2107-70-2)?

3-(3,4-Dimethoxyphenyl)propanoic acid (CAS: 2107-70-2) is an organic compound with the molecular formula C13H16O5. It is a white to pale yellow solid with a characteristic aromatic odor. This compound is known for its acidic properties and is commonly used as an intermediate in organic synthesis. Its structure includes a carboxylic acid group attached to a propyl chain, which is further substituted with a 3,4-dimethoxyphenyl group, contributing to its reactivity and utility in various chemical applications.

What are the main uses of 3-(3,4-Dimethoxyphenyl)propanoic acid (CAS: 2107-70-2)?

3-(3,4-Dimethoxyphenyl)propanoic acid (CAS: 2107-70-2) is primarily used as a key intermediate in the synthesis of pharmaceutical compounds, particularly those with anti-inflammatory and analgesic properties. It also finds applications in the development of agrochemicals and specialty chemicals. In research settings, it is used for the study of organic reactions and the design of new molecules. Its versatility makes it valuable in multiple industries, including drug discovery and chemical manufacturing.

Is 3-(3,4-Dimethoxyphenyl)propanoic acid (CAS: 2107-70-2) safe?

3-(3,4-Dimethoxyphenyl)propanoic acid (CAS: 2107-70-2) is generally considered safe when handled properly. However, it may cause mild irritation to the skin and eyes upon contact. It is important to follow standard safety protocols, such as using appropriate personal protective equipment (PPE) and working in a well-ventilated area. While it is not classified as highly toxic, long-term exposure or ingestion should be avoided. Always adhere to safety guidelines provided by regulatory bodies and manufacturers.

How should 3-(3,4-Dimethoxyphenyl)propanoic acid (CAS: 2107-70-2) be stored?

3-(3,4-Dimethoxyphenyl)propanoic acid (CAS: 2107-70-2) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container at a temperature below 25°C and away from moisture. Exposure to direct light and high humidity can lead to degradation. For long-term storage, it is recommended to use airtight containers and keep it in a controlled environment to prevent any unwanted chemical reactions or loss of purity.