1074-43-7 | 1-Methyl-3-propylbenzene

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$135.00	$95.00
5g	95%	in stock	$457.00	$320.00
10g	95%	in stock	$813.00	$569.00

Description

• Catalog Number: AB58556
• Chemical Name: 1-Methyl-3-propylbenzene
• CAS Number: 1074-43-7
• Molecular Formula: C10H14
• Molecular Weight: 134.2182
• MDL Number: MFCD00059247
• SMILES: CCCc1cccc(c1)C
• NSC Number: 73974

Computed Properties

• Complexity: 86
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Rotatable Bond Count: 2
• XLogP3: 3.6

Upstream Synthesis Route

1-Methyl-3-propylbenzene, also known as cumene, is a valuable compound used in chemical synthesis for various applications. In the realm of organic chemistry, cumene serves as a key building block for the production of acetone and phenol. Through the process of cumene hydroperoxide decomposition, acetone and phenol can be efficiently obtained.Moreover, 1-Methyl-3-propylbenzene is utilized in the synthesis of specialty chemicals like cumene hydroperoxide, which finds extensive use as a radical initiator in the production of polymers such as polystyrene and polyvinyl chloride. Its ability to undergo oxidation reactions makes cumene a versatile precursor in the manufacturing of diverse chemical products.Beyond its role in chemical synthesis, cumene also serves as a solvent in various industrial processes due to its favorable properties such as high solubility and low volatility. Additionally, this compound is employed as a fuel additive to improve combustion efficiency and reduce engine knocking in gasoline-powered vehicles.In conclusion, the versatile applications of 1-Methyl-3-propylbenzene in chemical synthesis highlight its significance in the production of essential chemicals and polymers, showcasing its importance in various industries.

Literature

• Prevalence of the alkyl/phenyl-folded conformation in benzylic compounds C6H5CH2-X-R (X=O, CH2, CO, S, SO, SO2): significance of the CH/pi interaction as evidenced by high-level ab initio MO calculations.

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