2,4,5-Trimethoxybenzoic acid

Basic Information

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CAS Number

490-64-2

Molecular Formula

C10H12O5

Molecular Weight

212.2 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

Basic Physical Properties

Melting Point

142.0 to 146.0 deg-C

Boiling Point

300°C

Flash Point

300℃

Refractive Index

1.5140 (estimate)

SMILES

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COc1cc(OC)c(cc1OC)C(=O)O

InChI

InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)

InChIKey

KVZUCOGWKYOPID-UHFFFAOYSA-N

LogP

1.4106

Topological Polar Surface Area

64.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

218

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

2,4,5-Trimethoxybenzoic acid
Asaronic acid
2,3-DIHYDRO-3-OXO-1H-INDENE-5-CARBONITRILE
2,4,5-Trimethoxy-benzoesaeure
2,4,5-Trimethoxybenzoic
2,4,5-trimethoxy-benzoicaci
Asaronsaeure
Benzoic acid,2,4,5-trimethoxy
RARECHEM AL BO 0322
Benzoic acid, 2,4,5-trimethoxy-
KVZUCOGWKYOPID-UHFFFAOYSA-N
Calamonic acid
Asarylic acid
KSC489O7D
2,4,5-TrimethoxybenzoicAcid
2,4,5-trimethoxy-benzoic acid
EBD39166
BCP10509
CT0088
SBB040530
RP26671
VZ22372
TRA0074534
SY0

MDL Number

MFCD00002435

Customs Code

2918990090

FAQ

What is 2,4,5-Trimethoxybenzoic acid (CAS: 490-64-2)?

2,4,5-Trimethoxybenzoic acid (CAS: 490-64-2) is an organic compound with the molecular formula C10H12O5. It is a benzoic acid derivative featuring three methoxy groups attached to the aromatic ring at positions 2, 4, and 5. This compound is known for its molecular structure and is used in various scientific applications. It has a white to pale yellow appearance and is typically solid at room temperature.

What are the main uses of 2,4,5-Trimethoxybenzoic acid (CAS: 490-64-2)?

2,4,5-Trimethoxybenzoic acid (CAS: 490-64-2) is primarily used in pharmaceutical research as a precursor for synthesizing bioactive compounds. It also finds applications in organic synthesis and as a reagent in chemical research. The compound may be relevant in the development of agrochemicals and materials science due to its functional groups and reactivity. Its use is often linked to its chemical structure and potential for modification.

Is 2,4,5-Trimethoxybenzoic acid (CAS: 490-64-2) safe?

2,4,5-Trimethoxybenzoic acid (CAS: 490-64-2) is generally considered safe when handled properly. However, as with many organic compounds, it should be treated with caution. Protective measures such as gloves and a fume hood are recommended during handling. Safety data sheets (SDS) should be consulted for specific guidelines. The compound is not classified as highly toxic, but it may cause irritation if inhaled or contacted with skin.

How should 2,4,5-Trimethoxybenzoic acid (CAS: 490-64-2) be stored?

2,4,5-Trimethoxybenzoic acid (CAS: 490-64-2) should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container to prevent moisture absorption. Storage conditions should maintain a temperature below 25°C and humidity levels below 60%. Avoid exposure to strong oxidizing agents or incompatible substances to ensure stability and safety.