3,4-Diethoxybenzoic acid

Basic Information

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CAS Number

5409-31-4

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

167.0 to 171.0 deg-C

Boiling Point

330.2 ℃ at 760 mmHg

Flash Point

125.4℃

Refractive Index

1.5384 (estimate)

SMILES

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CCOC1=C(C=C(C=C1)C(=O)O)OCC

InChI

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

InChIKey

VVKCVAPLTRZJHH-UHFFFAOYSA-N

LogP

2.1822

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

PQX585EH7W
Benzoic acid, 3,4-diethoxy-
CHEMBL450314
BS-4191
AE-562/41025155
Z57638052
3,4-Diethoxybenzoic acid, 99%
3,4-Diethoxybenzoic acid
EINECS 226-478-2
EN300-18407
MFCD00002504
FT-0614266
SY012861
NSC 8515
NSC 10903
CS-W015116
NSC10903
3,4-bis(ethyloxy)benzoic acid
AKOS000120422
NS00032948
UNII-PQX585EH7W
InChI=1/C11H14O4/c1-3-14-9-6-5-8(11(12)13)7-10(9)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13
SCHEMBL177424
D4080
3,4-diethoxy-benzoic acid
5409-31-4
A829957
BP-11789
W-105676
NSC8515
F2191-0073

MDL Number

MFCD00002504

FAQ

What regulatory guidelines apply to 3,4-Diethoxybenzoic acid (CAS: 5409-31-4)?

3,4-Diethoxybenzoic acid (CAS: 5409-31-4) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for placing substances on the EU market, and FDA requirements for the use in food additives. EPA regulations also apply for environmental disposal and handling in the United States.

Are there alternatives to 3,4-Diethoxybenzoic acid (CAS: 5409-31-4) in synthesis?

Yes, alternatives such as 2,3-dimethoxybenzoic acid and 3,4-dimethoxybenzoic acid can be used as substitutes in synthesis. These compounds share similar properties and can be used in place of 3,4-Diethoxybenzoic acid (CAS: 5409-31-4) depending on the specific reaction requirements.

What is the market or research trend for 3,4-Diethoxybenzoic acid (CAS: 5409-31-4)?

The market for 3,4-Diethoxybenzoic acid (CAS: 5409-31-4) is stable, with increasing research interest in its application in pharmaceuticals and organic synthesis. Recent trends include its use as a precursor in the synthesis of various functional compounds and its evaluation as a potential drug candidate.

How should waste containing 3,4-Diethoxybenzoic acid (CAS: 5409-31-4) be handled?

Waste containing 3,4-Diethoxybenzoic acid (CAS: 5409-31-4) should be collected in appropriate containers and disposed of via incineration or professional waste disposal services. Environmental protection measures should be followed, and safe handling procedures should be adhered to during waste collection and disposal to minimize environmental impact.