(2E)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid

Basic Information

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CAS Number

7706-67-4

Molecular Formula

C12H14O4

Molecular Weight

222.24 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

156.0 to 160.0 deg-C

Boiling Point

381.2 ºC at 760 mmHg

Density

1.152

Flash Point

146.3 ºC

Refractive Index

1.538

SMILES

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CC(=CC(=O)O)C1=C(C=C(C=C1)OC)OC

InChI

InChI=1S/C12H14O4/c1-8(6-12(13)14)10-5-4-9(15-2)7-11(10)16-3/h4-7H,1-3H3,(H,13,14)/b8-6+

InChIKey

VNLOISSPTMDCIF-SOFGYWHQSA-N

LogP

2.1917

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

272

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

Synonyms & References

English

7706-67-4
SCHEMBL9445631
2,4-Dimethoxy-beta-methylcinnamic acid
DTXSID1057826
Dimecrotic acid [INN:DCF]
Tox21_113846
CHEBI:134913
2,4-Dimethoxu-beta-methylzimtsaeure
MFCD00512029
CHEMBL3560432
NCGC00253727-01
EN300-729489
A838952
Dimecroate
SCHEMBL866251
AC-22305
Acidum dimecroticum
Molnia (TN)
Acido dimecrotico
2,4-Dimethoxy-b-methylcinnamic Acid
CAS-7706-67-4
(2E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid
DTXCID80809957
BS-44182
3-(2,4-Dimethoxyphenyl)but-2-enoicacid
CS-0455696
3-(2,4-Dimethoxyphenyl)but-2-enoic acid
Acide dimecrotrique
AKOS009219143
Dimecrotic acid
(E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid

MDL Number

MFCD00512029

FAQ

What is (2E)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid (CAS: 7706-67-4)?

(2E)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid, also known as 2-(2,4-dimethoxyphenyl)acrylic acid, is a chemical compound with the CAS number 7706-67-4. It is an unsaturated carboxylic acid with a distinctive structure, characterized by a conjugated system involving a double bond and a phenol moiety. This compound is soluble in water and has a pungent odor.

What are the main uses of (2E)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid (CAS: 7706-67-4)?

(2E)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also employed in the production of fragrances, dyes, and as a precursor in organic synthesis. Additionally, it finds applications in research as a reagent for analytical chemistry and in the development of new materials.

Is (2E)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid (CAS: 7706-67-4) safe?

(2E)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid is generally considered safe under normal handling conditions. However, it should be handled with caution due to its irritant properties. Protective measures include wearing appropriate personal protective equipment such as gloves, goggles, and lab coats. Avoid contact with eyes, skin, and inhalation. Ensure proper ventilation and store in a secure, well-ventilated area away from ignition sources.

How should (2E)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid (CAS: 7706-67-4) be stored?

(2E)-3-(2,4-Dimethoxyphenyl)-2-butenoic acid should be stored in tightly sealed containers to protect it from moisture and light. Store in a cool, dry place away from sources of heat and direct sunlight. The optimal storage temperature is between 15-25°C (59-77°F) with a maximum relative humidity of 50%. Keep the compound away from incompatible materials such as strong acids, bases, and oxidizing agents to prevent chemical reactions and hazards.