Methyl 3,4-dimethylbenzoate

Name: Methyl 3,4-dimethylbenzoate
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CAS No. 38404-42-1
Cat. No. CS-0187734
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 38404-42-1

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Description

Methyl 3,4-dimethylbenzoate features a benzene ring with two methyl groups at the 3- and 4-positions and a methyl ester at the 1-position. This configuration imparts enhanced solubility in organic solvents and stability under standard bench conditions. The compound serves as a valuable intermediate in synthetic routes to bioactive molecules and functional materials.

Application

Methyl 3,4-dimethylbenzoate serves as a versatile synthetic intermediate in organic synthesis, enabling selective functionalization at the aromatic ring due to its electron-donating methyl groups. The ester functionality provides a stable handle for subsequent transformations, including hydrolysis, reduction, or cross-coupling reactions. Its bench-stable nature and ease of purification make it well-suited for use in multi-step syntheses of pharmaceuticals and agrochemicals.

General Information

CAS No. 38404-42-1
Cat. No. CS-0187734
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂O₂
Molecular Weight 164.20
Synonym(s) Benzoic acid, 3,4-dimethyl-, methyl ester
SMILES CC1=CC=C(C=C1C)C(=O)OC

Computational Chemistry Data

TPSA 26.3
LogP 2.09004
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3,4-dimethylbenzoate

CAS No. 38404-42-1

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