(3,4-Diethoxyphenyl)acetic acid

Basic Information

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CAS Number

38464-04-9

Molecular Formula

C12H16O4

Molecular Weight

224.26 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

78.0 to 82.0 deg-C

Boiling Point

357.2 °C at 760 mmHg

Density

1.133 g/cm3

Flash Point

134.1 °C

Refractive Index

1.518

SMILES

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

InChI

InChI=1S/C12H16O4/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H,13,14)

InChIKey

FIKUHWAANCXBGJ-UHFFFAOYSA-N

LogP

2.1111

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

217

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

AKOS000308086
DTXSID80191783
EINECS 253-957-3
FT-0639475
EN300-98918
38464-04-9
A50724
MFCD00040785
2-(3,4-diethoxyphenyl)acetic acid
NS00030395
AG-205/40848496
Oprea1_806039
Cambridge id 7186671
3,4-DIETHOXYBENZENE ACETIC ACID
D3419
AC-15715
SCHEMBL1883666
(3,4-Diethoxy-phenyl)-acetic acid
3,4-Diethoxyphenyl Acetic Acid
BB 0248999
SR-01000537038
3,4-Diethoxyphenylacetic acid
3 pound not4-diethoxyphenylacetic acid
(3,4-diethoxyphenyl)acetic acid
SR-01000537038-1
3,4-diethoxy-phenylacetic acid
HMS1590C05
BS-4322
W-106482
3,4-Diethoxyphenylaceticacid
Benzeneacetic acid, 3,4-diethoxy-

MDL Number

MFCD00040785

Customs Code

2918990090

FAQ

What are the physical and chemical properties of (3,4-Diethoxyphenyl)acetic acid (CAS: 38464-04-9)?

(3,4-Diethoxyphenyl)acetic acid (CAS: 38464-04-9) is a white crystalline solid with a molecular weight of approximately 218.24 g/mol. It has a pKa of about 4.5 and is slightly soluble in water but more soluble in organic solvents. This compound is known for its reactivity towards nucleophiles and its ability to form esters and amides easily.

How is (3,4-Diethoxyphenyl)acetic acid (CAS: 38464-04-9) typically synthesized?

(3,4-Diethoxyphenyl)acetic acid (CAS: 38464-04-9) is commonly synthesized through the acetylation of 3,4-diethoxyphenol using acetic anhydride in the presence of a catalytic amount of sulfuric acid. The yield is typically around 85%, and the reaction is conducted under heating to ensure complete conversion.

What industries use (3,4-Diethoxyphenyl)acetic acid (CAS: 38464-04-9)?

(3,4-Diethoxyphenyl)acetic acid (CAS: 38464-04-9) is used in various industries. In pharmaceuticals, it serves as a starting material for the synthesis of certain drugs. It is also utilized in the production of sensors and semiconductors due to its functional groups that can be used for surface modifications. Additionally, it plays a role in the development of polymer additives and coatings.

What precautions should be taken when handling (3,4-Diethoxyphenyl)acetic acid (CAS: 38464-04-9)?

When handling (3,4-Diethoxyphenyl)acetic acid (CAS: 38464-04-9), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Lab work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately with appropriate absorbents, and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.