99-36-5 | Methyl 3-methylbenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	99%	in stock	$15.00	$10.00
5g	99%	in stock	$18.00	$12.00
25g	98%	in stock	$19.00	$14.00
100g	98%	in stock	$37.00	$26.00
500g	98%	in stock	$167.00	$117.00

Description

• Catalog Number: AB75805
• Chemical Name: Methyl 3-methylbenzoate
• CAS Number: 99-36-5
• Molecular Formula: C9H10O2
• Molecular Weight: 150.1745
• MDL Number: MFCD00008436
• SMILES: COC(=O)c1cccc(c1)C

Computed Properties

• Complexity: 143
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 2.8

Upstream Synthesis Route

Benzoic acid, 3-methyl-, methyl ester is a versatile compound widely utilized in chemical synthesis for its unique properties. Its application in organic synthesis includes its use as a precursor in the preparation of various aromatic compounds, pharmaceuticals, and agrochemicals. Additionally, this compound acts as a key intermediate in the production of fragrances and flavoring agents due to its pleasant aromatic properties. In the field of materials science, it serves as a building block for the synthesis of polymers and polymer additives. Its role in chemical research and development highlights its significance as a valuable tool in the creation of diverse chemical structures.

Literature

• Structural relaxation dynamics in binary glass-forming molecular liquids with ideal and complex mixing behavior.

  The journal of physical chemistry. B 20100318

• Enthalpy and dielectric relaxations in supercooled methyl m-toluate.

  The Journal of chemical physics 20090528