3-METHYLSTYRENE
Product Information
Molecular Formula
C9H10
Molecular Weight
118.18
Description
3-Methylstyrene is a highly versatile chemical compound widely employed in the burgeoning field of biomedicine. Renowned for its significant role in the synthesis of cutting-edge pharmaceuticals and potent drugs directed towards combatting a myriad of afflictions including cancer, inflammation, and cardiovascular disorders.
Synonyms
1-ethenyl-3-methyl-benzen; 1-ethenyl-3-methylbenzene; 1-methyl-3-ethenylbenzene; 1-Methyl-3-vinylbenzene; 3-ethenylmethylbenzene; benzene,1-ethenyl-3-methyl-
IUPAC Name
1-ethenyl-3-methylbenzene
SMILES
CC1=CC=CC(=C1)C=C
InChI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InChI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
Boiling Point
171°C
Melting Point
-82--81°C(lit.)
Flash Point
124 °CF
Purity
95%
Density
0.901 g/mL at 20 °C
Solubility
In water, 89.0 mg/L at 25 °C
Appearance
Colorless to Light yellow clear liquid
Application
Used in mixtures with the para isomer (4-vinyltoluene) as a reactive monomer for polymer and coating production.
Storage
2-8°C
Refractive Index
n20/D 1.541(lit.)
Stability
Stable under recommended storage conditions. Contains the following stabilizer(s): 3,5-Di-tert-butylpyrocatechol (0.1 %)
LogP
log Kow = 3.44 (est)
Vapor Pressure
1.70 mm Hg at 25 °C
Henry's Law Constant
2.97X10-3 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information
Hazards
H226:
Flammable liquid and vapour.
H304:
May be fatal if swallowed and enters airways.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H411:
Toxic to aquatic life with long-lasting effects.
Flammable liquid and vapour.
H304:
May be fatal if swallowed and enters airways.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H411:
Toxic to aquatic life with long-lasting effects.
Precautionary Statement
P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P273:
Avoid release to the environment.
P301+P310:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
P331:
Do NOT induce vomiting.
P370+P378:
In case of fire:
Use for extinction:
P391:
Collect spillage.
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P273:
Avoid release to the environment.
P301+P310:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
P331:
Do NOT induce vomiting.
P370+P378:
In case of fire:
Use for extinction:
P391:
Collect spillage.
Computed Properties
XLogP3
3.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
118.078250319 g/mol
Monoisotopic Mass
118.078250319 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
94.2
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114106267-A | Thermosetting resin composition containing styrene compound, preparation method and application thereof | 2021-11-30 |
| JP-2022031758-A | A photosensitive resin composition, a photosensitive film using the photosensitive resin composition, a method for forming a resist pattern, and a printed wiring board. | 2021-11-19 |
| CN-114149719-A | Coating composition and application thereof | 2021-11-11 |
| CN-114058273-A | Resin-based film, adhesive tape and method for preparing conductive pole piece by using adhesive tape | 2021-11-08 |
| CN-113862708-A | Method for electrochemically synthesizing beta-cyano-bis-phenylsulfonyl imide compound | 2021-11-03 |
| CN-114149300-A | Synthesis method of copper-catalyzed trifluoromethyl allene compound | 2021-11-01 |
| CN-113880873-A | Hydroboration reaction method for catalyzing olefin by calcium halide | 2021-10-25 |
| JP-2022009139-A | Radiation-sensitive resin composition | 2021-10-14 |
| JP-2022009148-A | Laminated tube | 2021-10-14 |
| CN-113717209-A | Synthesis method of alkyl silicon compound | 2021-10-12 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21612190 | 2011-10-17 | Metal-stabilized thiyl radicals as scaffolds for reversible alkene addition via C-S bond formation/cleavage | Inorganic chemistry |
| 21361543 | 2011-02-27 | Internal rotation of methyl group in electronically excited o- and m-ethynyltoluene: new correlation between the Hammett substituent constant σm and rotational barrier change | The Journal of chemical physics |
| 12940737 | 2003-09-03 | Preparation, physical properties, on-bead binding assay and spectroscopic reliability of 25 barcoded polystyrene-poly(ethylene glycol) graft copolymers | Journal of the American Chemical Society |
