POLY(α-METHYLSTYRENE)

Product Information

Molecular Formula:
C27H30X2
Molecular Weight:
354.53
Description
Isopropenylbenzene appears as a colorless liquid. Insoluble in water and less dense than water. Flash point 115 °F. May be mildly toxic by ingestion, inhalation and skin absorption. Vapors may be narcotic by inhalation. Used as a solvent and to make other chemicals.
Synonyms
ALPHA-METHYLSTYRENE POLYMER; ALPHA-METHYLSTYRENE HOMOPOLYMER; A-METHYLSTYRENE POLYMER; (1-methylethenyl)-benzenhomopolymer; Benzene,(1-methylethenyl)-,homopolymer; POLY(ALPHA-METHYLSTYRENE)
IUPAC Name
prop-1-en-2-ylbenzene
Canonical SMILES
CC(=C)C1=CC=CC=C1
InChI
InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChI Key
XYLMUPLGERFSHI-UHFFFAOYSA-N
Boiling Point
162.5ºC at 760mmHg
Melting Point
-23.2ºC
Flash Point
None ℃ (None)
Purity
95%
Density
1.075 g/mL at 25 °C(lit.)
Solubility
less than 1 mg/mL at 72 °F
Appearance
Colorless liquid
Application
Used as a polymerization monomer.
Refractive Index
1.5386 at 20 °C
LogP
log Kow= 3.48
Vapor Pressure
1.9 mmHg at 68 °F
Decomposition
When heated to decomposition, it emits acrid smoke & fumes.
Odor
Characteristic odor

Computed Properties

XLogP3
3.5
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
96.6
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
EP-2927580-A1 Optic for a led chip and related led lighting device 2014-03-30
US-2015276147-A1 Optic for a led chip and related led lighting device 2014-03-30
EP-2894180-A1 Polymer Polyols comprising a Polyether Carbonate Polyol as the Base Polyol 2014-01-08
WO-2015104232-A1 Polymer polyols comprising a polyether carbonate polyol as the base polyol 2014-01-08
EP-2958158-A1 Organic electroluminescent element and electronic device 2013-12-26
WO-2015089067-A1 Glucosylceramide synthase inhibitors 2013-12-11
WO-2015078877-A1 Composition 2013-11-27
US-2015125707-A1 Titania-containing coating composition and coated article 2013-11-01
US-2016226003-A1 Heterocyclic compounds 2013-09-11
US-9893299-B2 Heterocyclic compounds 2013-09-11

Literatures

PMID Publication Date Title Journal
27633901 2016-12-01 Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays Toxicology in vitro : an international journal published in association with BIBRA
23010626 2012-12-01 Monomer- and polymer radicals of vinyl compounds: EPR and DFT studies of geometric and electronic structures in the adsorbed state Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22987140 2012-09-10 Procedure for fabricating biofunctional nanofibers Journal of visualized experiments : JoVE
22476253 2012-05-21 Ru-catalyzed β-selective and enantioselective addition of amines to styrenes initiated by direct arene-exchange Organic & biomolecular chemistry
22390714 2012-04-12 A VUV photoionization study of the combustion-relevant reaction of the phenyl radical (C6H5) with propylene (C3H6) in a high temperature chemical reactor The journal of physical chemistry. A
22324308 2012-03-02 On the origin of regio- and stereoselectivity in singlet oxygen addition to enecarbamates The Journal of organic chemistry
22142429 2012-01-02 Enhanced photocatalytic activity of α-methylstyrene oligomerization through effective metal-to-ligand charge-transfer localization on the bridging ligand Inorganic chemistry
22423287 2012-01-01 A concise synthesis of 3-(1-alkenyl)isoindolin-1-ones and 5-(1-alkenyl)pyrrol-2-ones by the intermolecular coupling reactions of N-acyliminium ions with unactivated olefins Beilstein journal of organic chemistry
22844286 2012-01-01 Synthesis of Block Copolymers of Varying Architecture Through Suppression of Transesterification during Coordinated Anionic Ring Opening Polymerization International journal of biomaterials
21989952 2011-12-14 Functionalized mesoporous silica supported copper(II) and nickel(II) catalysts for liquid phase oxidation of olefins Dalton transactions (Cambridge, England : 2003)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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