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  • 1-Methyl-3-ethenylbenzene

    • 1-Methyl-3-ethenylbenzene

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    Catalog Number
    ACM100801
    CAS Number
    100-80-1
    Product Name
    1-Methyl-3-ethenylbenzene
    Structure
    Category
    Monomers
    Description
    COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
    IUPAC Name
    1-ethenyl-3-methylbenzene
    Molecular Weight
    118.18g/mol
    Molecular Formula
    CH3C6H4CH=CH2;C9H10;C9H10
    Canonical 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
    164.0 °C;170 °C;172 °C
    Melting Point
    -86.3 °C;-86.3 °C
    Flash Point
    60 °C
    Density
    0.9076 g/cu cm at 25 °C;Relative density (water = 1): 0.91
    Solubility
    7.53e-04 M;In water, 89.0 mg/L at 25 °C;Insoluble in water;Soluble in ethanol, ether, benzene
    Color/Form
    Liquid
    Complexity
    94.2
    Covalently-Bonded Unit Count
    1
    EC Number
    202-889-2
    Exact Mass
    118.07825g/mol
    Formal Charge
    0
    Heavy Atom Count
    9
    ICSC Number
    0734
    Log P
    log Kow = 3.44 (est);3.580
    MeSH Entry Terms
    1-ethenyl-3-methylbenzene;3-ethenylmethylbenzene;3-vinyltoluene
    Monoisotopic Mass
    118.07825g/mol
    Other Experimental
    Henry's Law constant = 2.97X10-3 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.12X10-11 cu cm/molec-sec at 25 °C (est)
    Refractive Index
    Index of refraction: 1.5411 at 25 °C/D
    Rotatable Bond Count
    1
    Stability
    Stable under recommended storage conditions. Contains the following stabilizer(s): 3,5-Di-tert-butylpyrocatechol (0.1 %)
    UNII
    FFK4I9430G
    UN Number
    2618
    Vapor Density
    Relative vapor density (air = 1): 4.1
    Vapor Pressure
    1.70 mmHg;1.70 mm Hg at 25 °C
    XLogP3
    3.6
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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