Methyl 3,4,5-trimethoxybenzoate

Basic Information

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CAS Number

1916-07-0

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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

82.0 to 85.0 deg-C

Boiling Point

185°C/16mmHg

Flash Point

274-275°C

Solubility

Methanol; Chloroform; Ethyl Acetate

Refractive Index

1.5140 (estimate)

SMILES

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

InChI

InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3

InChIKey

KACHFMOHOPLTNX-UHFFFAOYSA-N

LogP

1.4989999999999999

Topological Polar Surface Area

53.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

216

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

Storage Conditions

2-8℃

Synonyms & References

English

BRN 2218156
Trimethylgallic acid methyl ester
Methyl tri-O-methylgallate
methyl 3,4,5-trimethoxy-d9-benzoate
EINECS 217-629-3
AI3-21154
3,5-Trimethoxybenzoic acid, methyl ester
W-107730
InChI=1/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H
TRIMEBUTINE MALEATE IMPURITY C [EP IMPURITY]
NSC 16955
1916-07-0
T1092
BENZOIC ACID, 3,4,5-TRIMETHOXY-, METHYL ESTER
4-10-00-01999 (Beilstein Handbook Reference)
DTXSID0062058
3,4,5-Trimethoxybenzoic acid methyl ester
3,5-Trimethoxybenzoic acid methyl ester
TRIMETHOPRIM IMPURITY H [EP IMPURITY]
Methyl EudesMate
NSC-16955
CHEBI:192678
Q27287238
Benzoic acid,4,5-trimethoxy-, methyl ester
F0001-0689
AC-34705
CS-0018534
AMY22196
3,4,5-Trimethoxybenzoic acid, methyl ester
HY-N2044
1182838-07-8

MDL Number

MFCD00008431

Customs Code

2918990090

FAQ

What is Methyl 3,4,5-trimethoxybenzoate (CAS: 1916-07-0)?

Methyl 3,4,5-trimethoxybenzoate is an organic compound with the chemical formula C10H12O5. It is a white crystalline solid known for its stability and low solubility in water. This compound contains a benzene ring substituted with three methoxy groups and a methyl ester functional group, making it valuable in chemical synthesis. Its CAS number is 1916-07-0, and it is commonly used as an intermediate in pharmaceutical and industrial applications.

What are the main uses of Methyl 3,4,5-trimethoxybenzoate (CAS: 1916-07-0)?

Methyl 3,4,5-trimethoxybenzoate (CAS: 1916-07-0) is primarily used in pharmaceuticals as a building block for drug development, particularly in anti-inflammatory and antioxidant compounds. It also finds applications in agrochemicals, coatings, and research for creating derivatives with specific functionalities. Its unique structure makes it a key component in synthetic chemistry for various industrial and scientific purposes.

Is Methyl 3,4,5-trimethoxybenzoate (CAS: 1916-07-0) safe?

Methyl 3,4,5-trimethoxybenzoate (CAS: 1916-07-0) is generally considered safe when handled properly, but it may cause mild skin or eye irritation. Safety guidelines recommend using appropriate personal protective equipment (PPE), such as gloves and safety goggles, and working in well-ventilated areas. It is non-flammable but should be stored away from heat sources. Always follow safety data sheet (SDS) recommendations for safe handling and exposure limits.

How should Methyl 3,4,5-trimethoxybenzoate (CAS: 1916-07-0) be stored?

Methyl 3,4,5-trimethoxybenzoate (CAS: 1916-07-0) should be stored in a cool, dry, and dark place to maintain stability. Keep it in a sealed container to prevent moisture absorption and contamination. Avoid exposure to high temperatures, humidity, or direct sunlight. It is not flammable but should be stored away from heat sources. Proper storage ensures optimal shelf life and safety during handling.