3,4,5-Trimethoxyphenylacetic acid

Basic Information

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CAS Number

951-82-6

Molecular Formula

C11H14O5

Molecular Weight

226.23 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

117.0 to 121.0 deg-C

Boiling Point

327.83°C (rough estimate)

Density

1.2668 (rough estimate)

Flash Point

138.1℃

Refractive Index

1.5140 (estimate)

SMILES

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

InChI

InChI=1S/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)

InChIKey

DDSJXCGGOXKGSJ-UHFFFAOYSA-N

LogP

1.3395

Topological Polar Surface Area

64.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

216

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

3,4,5-Trimethoxyphenylacetic acid
2-(3,4,5-trimethoxyphenyl)acetic acid
Aceticacid, (3,4,5-trimethoxyphenyl)- (6CI,7CI,8CI)
3,4,5-Trimethoxybenzeneacetic acid
2-(3,4,5-Trimethoxyphenyl)aceticacid
3,4,5-Trimethoxybenzeneacetic acid (ACI)
Acetic acid, (3,4,5-trimethoxyphenyl)- (6CI, 7CI, 8CI)
2-(3,4,5-Trimethoxyphenyl)acetic acid
NSC 130961
NSC 91017
NSC130961
Oprea1_468323
PD196700
AKOS000119742
BCP09036
ACETIC ACID, (3,4,5-TRIMETHOXYPHENYL)-
DTXSID60241755
3,4,5-trimethoxy phenyl acetic acid
951-82-6
T1105
Q-100901
3,4,5-Trimethoxyphenylacetic acid, 97%
Z104442558
Q27216287
AS-15922
Benzeneacetic acid,4,5-trimethoxy-
SCHEMBL499116
DB-021835
BRD-K94158209-001-01-5
CS-W010429
MFCD00004336

MDL Number

MFCD00004336

Customs Code

29189090

FAQ

What is 3,4,5-Trimethoxyphenylacetic acid (CAS: 951-82-6)?

3,4,5-Trimethoxyphenylacetic acid is an organic compound with the chemical formula C12H14O6. It is a derivative of phenylacetic acid, featuring three methoxy groups (-OCH3) at the 3, 4, and 5 positions on the phenyl ring. This compound is known for its aromatic structure and is often used in various chemical applications due to its stability and reactivity.

What are the main uses of 3,4,5-Trimethoxyphenylacetic acid (CAS: 951-82-6)?

3,4,5-Trimethoxyphenylacetic acid is primarily used in pharmaceutical research for the development of drug candidates. It also finds applications in organic synthesis as a building block for more complex molecules. Additionally, it is used in the fragrance and flavor industry due to its aromatic properties, and in research settings for analytical and structural studies.

Is 3,4,5-Trimethoxyphenylacetic acid (CAS: 951-82-6) safe?

3,4,5-Trimethoxyphenylacetic acid is generally considered safe when handled properly. However, as with many organic compounds, it should be treated with care. It is recommended to use protective equipment such as gloves and goggles, and to work in a well-ventilated area. Safety standards for handling this compound are typically aligned with those for similar aromatic chemicals, and it may require specific storage conditions to ensure stability and safety.

How should 3,4,5-Trimethoxyphenylacetic acid (CAS: 951-82-6) be stored?

3,4,5-Trimethoxyphenylacetic acid should be stored in a cool, dry place away from direct light. It is best kept in a sealed, airtight container to prevent moisture absorption. The recommended storage temperature is between 2°C and 8°C, and it should be stored in a well-ventilated area to avoid exposure to air. Proper storage helps maintain its chemical stability and prolong its shelf life.