(2E)-3-(3,4,5-Trimethoxyphenyl)acrylic acid

Basic Information

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CAS Number

90-50-6

Molecular Formula

C12H14O5

Molecular Weight

238.24 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

Physical State

White cryst.

Melting Point

125-127 °C

Boiling Point

396.4℃ at 760 mmHg

Density

1.1416 (rough estimate)

Flash Point

151.5℃

Solubility

3040 mg/L @ 25 °C (est)

Refractive Index

1.4571 (estimate)

SMILES

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COC1=CC(=CC(=C1OC)OC)C=CC(=O)O

InChI

InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)

InChIKey

YTFVRYKNXDADBI-UHFFFAOYSA-N

LogP

1.8101999999999998

Topological Polar Surface Area

64.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

262

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

BRD-K63758740-001-02-3
3-(3,5-Trimethoxyphenyl)-2-propenoic acid
BBL011951
Cinnamic acid, 3,4,5-trimethoxy-
20329-98-0
EINECS 201-999-8
3,4,5-Trimethoxy cinnamate
3,4,5-Trimethoxycinnamic acid, analytical reference material
3,4,5-Trimethoxycinnamic acid, 97%
AKOS000120453
F3284-8534
SR-01000773278-2
3, 4, 5-Trimethoxycinnamic Acid
3-(3,4,5-Trimethoxyphenyl)propenoic acid
2-10-00-00354 (Beilstein Handbook Reference)
O-Methylsinapate
trans-3,4,5-Trimethoxycinnamic acid
BDBM232204
3-(3,4,5-trimethoxyphenyl)acrylic acid
(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
(2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid
CHEMBL501235
SR-01000773278
AC-24565
2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, (E)-
CS-W012839
CCG-39479
C9096D920O
(E)-3-(3,4,5-trimethoxyphenyl) acrylic acid
AS-11999
(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoic acid

MDL Number

MFCD00004388

Customs Code

2916399090

FAQ

What is (2E)-3-(3,4,5-Trimethoxyphenyl)acrylic acid (CAS: 90-50-6)?

This organic compound (CAS: 90-50-6) is a conjugated acrylic acid derivative featuring a 3,4,5-trimethoxyphenyl group. Its chemical formula is C13H14O5, and it exhibits typical properties of aromatic compounds, including solubility in organic solvents. The molecule is commonly used in pharmaceutical and research contexts due to its structural versatility and reactivity.

What are the main uses of (2E)-3-(3,4,5-Trimethoxyphenyl)acrylic acid (CAS: 90-50-6)?

This compound (CAS: 90-50-6) is primarily utilized in pharmaceutical research for drug development and as a building block in organic synthesis. It also finds applications in industrial chemistry for creating specialty chemicals and in research for studying bioactive molecules. Its trimethoxyphenyl group makes it relevant in the development of agrochemicals and functional materials.

Is (2E)-3-(3,4,5-Trimethoxyphenyl)acrylic acid (CAS: 90-50-6) safe?

The safety of (2E)-3-(3,4,5-Trimethoxyphenyl)acrylic acid (CAS: 90-50-6) depends on handling conditions. It is generally considered harmful if inhaled or ingested and may irritate skin and eyes. Proper protective equipment, such as gloves and goggles, is recommended. Safety data sheets (SDS) should be consulted for specific guidelines and exposure limits.

How should (2E)-3-(3,4,5-Trimethoxyphenyl)acrylic acid (CAS: 90-50-6) be stored?

This compound (CAS: 90-50-6) should be stored in a cool, dry place (ideally 2-8°C), away from light and moisture. Use sealed, dark glass containers to maintain stability and prevent degradation. Store in a well-ventilated area and avoid contact with incompatible substances to ensure long-term preservation.