CAS 622-97-9 4-Methylstyrene - Materials / Alfa Chemistry

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4-Methylstyrene

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Catalog Number

ACM622979-1

CAS Number

622-97-9

Product Name

4-Methylstyrene

Structure

Category

Monomers

Description

P-methylstyrene appears as a clear colorless liquid with an aromatic odor. Usually shipped with an inhibitor such as tert-butyl catechol added May polymerize if contaminated or subjected to heat. If polymerization takes place inside a closed container, the container may rupture violently. Vapors irritate the mucous membranes. Less dense than water and insoluble in water. Hence floats on water. Used in making plastics, especially as a monomer for polyesters.;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

IUPAC Name

1-ethenyl-4-methylbenzene

Molecular Weight

118.18g/mol

Molecular Formula

CH3C6H4CH=CH2;C9H10;C9H10

Canonical SMILES

CC1=CC=C(C=C1)C=C

InChI

InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3

InChI Key

JLBJTVDPSNHSKJ-UHFFFAOYSA-N

Boiling Point

172.8 °C;172 °C;173 °C

Melting Point

-34.1 °C;-37.8 °C;-34 °C

Flash Point

125 to 127 °F (NFPA, 2010);46 °C (115 °F) - closed cup;52.8 °C

Density

0.9173 g/cu cm at 25 °C;Relative density (water = 1): 0.897

Solubility

7.53e-04 M;In water, 89 mg/L at 25 °C;Insoluble in water;Soluble in benzene;Solubility in water: none

Application

4-Methylstyrene serves multiple roles in industrial applications due to its chemical properties as a clear, colorless to light yellow liquid. Primarily, it acts as a monomer in the production of polyesters and various types of plastics. Additionally, it functions as an intermediate in creating additives for paints and coatings. When combined with other vinyltoluene isomers, such as 3-vinyltoluene, it serves as a monomer for synthesizing poly(vinyltoluene). Furthermore, 4-methylstyrene is utilized as a bi-ligand in forming cationic, two-coordinate triphenylphosphine-gold(I)-pi complexes. It also plays a role in Heck coupling reactions, particularly with chlorobenzene, making it a versatile component in chemical synthesis.

Color/Form

Liquid

Complexity

86.2

Covalently-Bonded Unit Count

EC Number

210-762-8;215-292-7

Exact Mass

118.07825g/mol

Formal Charge

Heat of Vaporization

6.20X10+07 J/kmol at 25 °C

Heavy Atom Count

ICSC Number

0735

Log P

log Kow = 3.35;3.580

MeSH Entry Terms

1-ethenyl-4-methylbenzene;4-ethenylmethylbenzene;4-vinyltoluene

Monoisotopic Mass

118.07825g/mol

Other Experimental

Liquid molar volume = 0.129067 cu m/kmol; heat of formation = 1.1464X10+08 J/kmol;Henry's Law constant = 3.2X10-3 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 3.15X10-11 cu cm/molec-sec at 25 °C;Ozone reaction rate constant = 2.1X17-11 cu cm/molec-sec at 25 °C

Refractive Index

Index of refraction: 1.5420 at 20 °C/D

Rotatable Bond Count

RTECS Number

WL5076000

Stability

Stable under recommended storage conditions.

UNII

HJ7H0G60Q0

UN Number

1993;2618

Vapor Density