4-Ethoxybenzoic acid

Basic Information

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CAS Number

619-86-3

Molecular Formula

C9H10O3

Molecular Weight

166.18 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

Basic Physical Properties

Physical State

Cryst.

Melting Point

197.0 to 202.0 deg-C

Boiling Point

291.2°C at 760 mmHg

Density

1.1708 (rough estimate)

Refractive Index

1.5500 (estimate)

SMILES

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CCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)

InChIKey

SHSGDXCJYVZFTP-UHFFFAOYSA-N

LogP

1.7834999999999999

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

148

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

EINECS 210-616-3
UNII-TZR23XEQ7W
4-ethoxybenzoate;4-Ethoxybenzoic acid
SY022932
AKOS000119552
4-EthoxybenzoicAcid
NSC8705
TZR23XEQ7W
W-105062
CHEMBL324769
CS-W010810
619-86-3
NSC 8705
4-Ethoxy-benzoic acid
4-ethoxy benzoic acid
EN300-16736
A833520
Benzoic acid, 4-ethoxy-
4-Ethoxybenzoic acid, 99%
NSC-8705
InChI=1/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11
1-carboxy-4-ethoxybenzene
NS00034877
81J
p-Ethoxybenzoic acid
Benzoic acid, p-ethoxy-
F3034-0323
para-Ethoxybenzoic acid
DTXSID2060709
FT-0618382
Q27290499

MDL Number

MFCD00002545

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 4-Ethoxybenzoic acid (CAS: 619-86-3)?

4-Ethoxybenzoic acid (CAS: 619-86-3) must comply with the GHS classification for carcinogenicity and mutagenicity. It is subject to REACH regulations in the European Union, requiring a safety data sheet (SDS) and registration if produced or imported in quantities above one ton per year. In the USA, it is regulated by the FDA and EPA for its potential health and environmental impacts.

Are there alternatives to 4-Ethoxybenzoic acid (CAS: 619-86-3) in synthesis?

Alternative reagents include 2-Ethoxybenzoic acid and 4-Methoxybenzoic acid. These can serve as synthetically viable substitutes depending on the specific reaction requirements. Other options might include using different functional groups or modifying the structure to achieve similar properties without the need for 4-Ethoxybenzoic acid.

What is the market or research trend for 4-Ethoxybenzoic acid (CAS: 619-86-3)?

Research trends indicate an increasing interest in 4-Ethoxybenzoic acid for its use in pharmaceuticals and agrochemicals due to its structural properties. Market trends show steady demand, with a focus on sustainable production methods and eco-friendly applications. Emerging research is exploring its role in novel drug discovery and biodegradable materials.

How should waste containing 4-Ethoxybenzoic acid (CAS: 619-86-3) be handled?

Waste containing 4-Ethoxybenzoic acid should be collected in sealed, labeled containers and stored in a cool, dry place away from direct sunlight. Professional waste disposal services should be used, as it may require incineration or chemical treatment to neutralize its environmental impact. Proper handling and disposal should follow the guidelines set by local environmental regulations and safety protocols to prevent contamination and harm to the environment.