trans-β-Methylstyrene - CAS 873-66-5
Catalog: |
BB038407 |
Product Name: |
trans-β-Methylstyrene |
CAS: |
873-66-5 |
Synonyms: |
[(E)-prop-1-enyl]benzene |
IUPAC Name: | [(E)-prop-1-enyl]benzene |
Description: | trans-β-Methylstyrene (CAS# 873-66-5) is an isomer of β-Methylstyrene (M301155), a styrene derivative that is used as a chemical intermediate in the manufacture of plasticizers, resins and polymers. trans-β-Methylstyrene is also produced from the combustion of methamphetamine (M258795). |
Molecular Weight: | 118.18 |
Molecular Formula: | C9H10 |
Canonical SMILES: | CC=CC1=CC=CC=C1 |
InChI: | InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+ |
InChI Key: | QROGIFZRVHSFLM-QHHAFSJGSA-N |
Boiling Point: | 175 °C (lit.) |
Melting Point: | -27.3 °C |
Flash Point: | 52 °C |
Purity: | 95 % |
Density: | 0.911 g/mL at 25°C(lit.) |
Appearance: | Clear colourless to very faintly yellow liquid |
Storage: | 2-8 °C |
LogP: | 2.71970 |
Vapor Pressure: | 0.97 [mmHg] |
GHS Hazard Statement: | H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113368870-A | Sulfur ligand modified monoatomic catalyst and preparation method and application thereof | 20210709 |
CN-113372503-A | Acid modified C9 petroleum resin and preparation method thereof with controllable molecular weight | 20210702 |
CN-113461859-A | Preparation method of light-colored cold-polymerized C5/C9 copolymerized petroleum resin | 20210702 |
CN-113336891-A | Methyl styrene and indene modified dicyclopentadiene petroleum resin and preparation method thereof | 20210622 |
CN-113264820-A | Method for preparing ketone compound from olefin | 20210423 |
PMID | Publication Date | Title | Journal |
23010626 | 20121201 | 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 |
22796094 | 20121031 | Mutations at the putative active cavity of styrene monooxygenase: enhanced activity and reversed enantioselectivity | Journal of biotechnology |
22116319 | 20120114 | Crossed beam reaction of phenyl and D5-phenyl radicals with propene and deuterated counterparts--competing atomic hydrogen and methyl loss pathways | Physical chemistry chemical physics : PCCP |
21625717 | 20110721 | Tandem allylic oxidation-condensation/esterification catalyzed by silica gel: an expeditious approach towards antimalarial diaryldienones and enones from natural methoxylated phenylpropenes | Organic & biomolecular chemistry |
21320452 | 20110216 | Enantiospecificity of chloroperoxidase-catalyzed epoxidation: biased molecular dynamics study of a cis-β-methylstyrene/chloroperoxidase-compound I complex | Biophysical journal |
Complexity: | 86.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 118.078250319 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.078250319 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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