beta-Chlorostyrene

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  • Identifiers

    CAS number
    622-25-3

    Molecular formula
    C8H7Cl

    SMILES
    C1=CC=C(C=C1)/C=C/Cl

  • Odor profile

    Fragrance
    Green 66.79%
    Floral 50.55%
    Spicy 44.57%
    Sweet 43.72%
    Balsamic 38.96%
    Hyacinth 38.12%
    Herbal 35.3%
    Cinnamon 33.76%
    Leafy 33.68%
    Honey 28.54%

     

    Flavor
    Sweet 52.0%
    Balsam 39.45%
    Cinnamon 34.69%
    Floral 27.05%
    Spice 26.54%
    Green 24.95%
    Balsamic 24.78%
    Spicy 24.01%
    Honey 23.06%
    Nitrile 22.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.57 (neutral)

    Molecular weight
    138.59 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 79.56 ˚C est.

  • Synonyms

    • beta-Chlorostyrene
    • 622-25-3
    • Styrene, .beta.-chloro-
    • 4110-77-4
    • Styrene, chloro-
    • Benzene, (2-chloroethenyl)-
    • EINECS 215-557-7
    • (2-Chloroethenyl)-benzene
    • [(E)-2-Chloroethenyl]benzene
    • 2-Chlor-styrol
    • Benzene, [(1E)-2-chloroethenyl]-
    • .beta.-Chlorostyrene
    • .omega.-Chloro styrene
    • 2-Chloroethenyl]benzene
    • 1-Chloro-2-phenylethene
    • 2-Chloro-1-phenylethene
    • (E)-(2-chlorovinyl)benzene
    • [(E)-2-chloro-vinyl]-benzene
    • DTXSID1021538
    • trans-(2-chloroethenyl)-benzene
    • AKOS006283295
    • NS00022529

  • Applications

    beta-Chlorostyrene (CAS 622-25-3) is primarily used as an organic-synthesis intermediate and as a reactive monomer in specialty polymers and coatings. In polymer and resin formulations, it can function as a comonomer to introduce chlorine functionality into styrene-based copolymers, enabling post-polymerization modification and crosslinking. It also serves as a building block for halogenated aromatic vinyl compounds in industrial manufacturing and as an intermediate in pharmaceutical and agrochemical synthesis. In research settings it is employed as a versatile substrate for transformations of vinyl aryl halides, supporting the synthesis of downstream specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 599.66
    methanol 322.88
    isopropanol 451.0
    water 0.41
    ethyl acetate 1777.91
    n-propanol 550.46
    acetone 2435.35
    n-butanol 502.87
    acetonitrile 1332.44
    DMF 1469.33
    toluene 1582.4
    isobutanol 394.5
    1,4-dioxane 2343.08
    methyl acetate 1406.75
    THF 2559.32
    2-butanone 1778.69
    n-pentanol 339.38
    sec-butanol 440.29
    n-hexane 291.21
    ethylene glycol 85.46
    NMP 1050.54
    cyclohexane 675.46
    DMSO 1590.06
    n-butyl acetate 1135.1
    n-octanol 244.04
    chloroform 3305.48
    n-propyl acetate 880.18
    acetic acid 608.94
    dichloromethane 3793.04
    cyclohexanone 1905.79
    propylene glycol 108.3
    isopropyl acetate 761.81
    DMAc 829.4
    2-ethoxyethanol 431.62
    isopentanol 393.04
    n-heptane 345.71
    ethyl formate 675.0
    1,2-dichloroethane 2971.76
    n-hexanol 506.57
    2-methoxyethanol 696.96
    isobutyl acetate 508.26
    tetrachloromethane 748.2
    n-pentyl acetate 466.59
    transcutol 2196.62
    n-heptanol 220.05
    ethylbenzene 582.47
    MIBK 656.48
    2-propoxyethanol 632.37
    tert-butanol 507.21
    MTBE 816.81
    2-butoxyethanol 368.4
    propionic acid 518.51
    o-xylene 569.07
    formic acid 104.5
    diethyl ether 1699.34
    m-xylene 686.41
    p-xylene 589.68
    chlorobenzene 1318.17
    dimethyl carbonate 546.64
    n-octane 103.34
    formamide 269.25
    cyclopentanone 2133.86
    2-pentanone 1452.06
    anisole 951.93
    cyclopentyl methyl ether 1297.65
    gamma-butyrolactone 1855.61
    1-methoxy-2-propanol 527.47
    pyridine 2731.8
    3-pentanone 1207.85
    furfural 1354.85
    n-dodecane 63.07
    diethylene glycol 350.52
    diisopropyl ether 449.05
    tert-amyl alcohol 387.07
    acetylacetone 1356.8
    n-hexadecane 74.84
    acetophenone 675.55
    methyl propionate 1224.81
    isopentyl acetate 787.81
    trichloroethylene 4245.61
    n-nonanol 214.26
    cyclohexanol 617.72
    benzyl alcohol 432.17
    2-ethylhexanol 390.77
    isooctanol 192.98
    dipropyl ether 1033.23
    1,2-dichlorobenzene 928.02
    ethyl lactate 212.04
    propylene carbonate 957.96
    n-methylformamide 591.43
    2-pentanol 411.92
    n-pentane 274.41
    1-propoxy-2-propanol 548.96
    1-methoxy-2-propyl acetate 750.62
    2-(2-methoxypropoxy) propanol 372.87
    mesitylene 375.02
    ε-caprolactone 1300.94
    p-cymene 310.8
    epichlorohydrin 2477.52
    1,1,1-trichloroethane 2362.81
    2-aminoethanol 157.32
    morpholine-4-carbaldehyde 1159.42
    sulfolane 1606.55
    2,2,4-trimethylpentane 91.25
    2-methyltetrahydrofuran 1930.77
    n-hexyl acetate 620.75
    isooctane 90.25
    2-(2-butoxyethoxy)ethanol 530.56
    sec-butyl acetate 525.08
    tert-butyl acetate 713.17
    decalin 201.33
    glycerin 145.9
    diglyme 1328.49
    acrylic acid 440.11
    isopropyl myristate 264.29
    n-butyric acid 751.14
    acetyl acetate 903.29
    di(2-ethylhexyl) phthalate 181.65
    ethyl propionate 715.54
    nitromethane 1350.15
    1,2-diethoxyethane 1232.69
    benzonitrile 739.89
    trioctyl phosphate 142.15
    1-bromopropane 1792.14
    gamma-valerolactone 1803.07
    n-decanol 165.64
    triethyl phosphate 257.83
    4-methyl-2-pentanol 227.61
    propionitrile 867.37
    vinylene carbonate 865.97
    1,1,2-trichlorotrifluoroethane 1021.99
    DMS 575.63
    cumene 285.45
    2-octanol 167.55
    2-hexanone 889.11
    octyl acetate 307.73
    limonene 481.51
    1,2-dimethoxyethane 1273.26
    ethyl orthosilicate 266.87
    tributyl phosphate 179.52
    diacetone alcohol 565.36
    N,N-dimethylaniline 497.28
    acrylonitrile 973.95
    aniline 876.78
    1,3-propanediol 276.3
    bromobenzene 1654.45
    dibromomethane 2756.17
    1,1,2,2-tetrachloroethane 2765.85
    2-methyl-cyclohexyl acetate 468.53
    tetrabutyl urea 265.81
    diisobutyl methanol 254.76
    2-phenylethanol 461.92
    styrene 858.55
    dioctyl adipate 348.73
    dimethyl sulfate 683.4
    ethyl butyrate 832.43
    methyl lactate 271.74
    butyl lactate 261.66
    diethyl carbonate 488.52
    propanediol butyl ether 278.25
    triethyl orthoformate 479.0
    p-tert-butyltoluene 289.41
    methyl 4-tert-butylbenzoate 434.3
    morpholine 2055.81
    tert-butylamine 378.01
    n-dodecanol 138.89
    dimethoxymethane 1277.63
    ethylene carbonate 736.92
    cyrene 325.33
    2-ethoxyethyl acetate 678.58
    2-ethylhexyl acetate 691.41
    1,2,4-trichlorobenzene 976.93
    4-methylpyridine 1913.49
    dibutyl ether 641.35
    2,6-dimethyl-4-heptanol 254.76
    DEF 1072.96
    dimethyl isosorbide 726.19
    tetrachloroethylene 1962.89
    eugenol 367.42
    triacetin 539.11
    span 80 334.91
    1,4-butanediol 106.08
    1,1-dichloroethane 2436.99
    2-methyl-1-pentanol 306.59
    methyl formate 594.97
    2-methyl-1-butanol 391.02
    n-decane 107.24
    butyronitrile 855.34
    3,7-dimethyl-1-octanol 268.99
    1-chlorooctane 343.45
    1-chlorotetradecane 140.11
    n-nonane 121.11
    undecane 78.83
    tert-butylcyclohexane 154.47
    cyclooctane 239.69
    cyclopentanol 564.35
    tetrahydropyran 2614.6
    tert-amyl methyl ether 565.39
    2,5,8-trioxanonane 812.38
    1-hexene 744.74
    2-isopropoxyethanol 342.06
    2,2,2-trifluoroethanol 196.74
    methyl butyrate 917.28

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction