beta-Bromostyrene

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  • Identifiers

    CAS number
    103-64-0

    Molecular formula
    C8H7Br

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 79.34%
    Leafy 41.4%
    Vegetable 36.47%
    Hyacinth 36.31%
    Spicy 35.78%
    Floral 33.64%
    Radish 31.79%
    Pungent 29.31%
    Herbal 26.33%
    Geranium 25.88%

     

    Flavor
    Sweet 46.93%
    Balsam 36.19%
    Cinnamon 32.83%
    Spice 25.88%
    Floral 25.19%
    Balsamic 23.31%
    Nitrile 23.22%
    Spicy 22.64%
    Red hots 22.23%
    Green 21.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.0 (neutral)

    Molecular weight
    183.04 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • min, - 2 °C

    Boiling point

    • 112 °C at 20 mm Hg

    Flash point

    • 86.36 ˚C est.
    • 79 °C (closed cup)

    Solubility expt.

    • Insol in aqueous solution
    • Miscible with alcohol, ether
    • Sol in 4 volumes of 90% alcohol

  • Synonyms

    • BETA-BROMOSTYRENE
    • 103-64-0
    • (2-Bromovinyl)benzene
    • 2-Bromovinylbenzene
    • Bromostyrol
    • Bromostyrolene
    • Bromstyrole
    • Styryl bromide
    • Hyacinth Base
    • 1-Bromo-2-phenylethylene
    • (E)-(2-BROMOVINYL)BENZENE
    • (2-Bromoethenyl)benzene
    • 1-Bromo-2-phenylethene
    • [(E)-2-Bromoethenyl]benzene
    • beta-Bromstyrol
    • Benzene, (2-bromoethenyl)-
    • Styrene, beta-bromo-
    • (E)-2-Bromostyrene
    • (E)-beta-Bromostyrene
    • trans-Styryl bromide
    • (E)-Styryl bromide
    • trans-2-Bromostyrene
    • alpha-Bromo-beta-phenylethylene
    • HSDB 1969
    • NSC 8047
    • EINECS 203-131-3
    • .beta.-Bromstyrol
    • Bromostyrene
    • Benzene, (2-bromoethenyl)-, (E)-
    • (E)-2-Phenylethenyl bromide
    • (E)-1-Bromo-2-phenylethene
    • .beta.-Bromostyrene
    • BRN 2038495
    • .omega.-Bromostyrene
    • trans-1-Bromo-2-phenylethylene
    • AI3-24375
    • Benzene, ((1E)-2-bromoethenyl)-
    • Styrene, .beta.-bromo-
    • 1340-14-3
    • 588-72-7
    • NSC-147118
    • KGB403U6YG
    • 46J0U1IRC9
    • 3-05-00-01177 (Beilstein Handbook Reference)
    • NSC-8047
    • .alpha.-Bromo-.beta.-phenylethylene
    • EINECS 215-617-2
    • beta-Bromostyrene, (E)-
    • 2-Phenylethenyl bromide
    • trans-omega-Bromostyrene
    • UNII-KGB403U6YG
    • UNII-46J0U1IRC9
    • betaBromstyrol
    • DTXSID501014586
    • ss-bromostyrene
    • 2Bromostyrene
    • B-bromo styrene
    • E-styryl bromide
    • omega-Bromostyrene
    • (E)-bromostyrene
    • beta -bromostyrene
    • Styrene, betabromo
    • 1Bromo2phenylethene
    • MFCD00000185
    • (2Bromovinyl)benzene
    • 1Bromo2phenylethylene
    • (2Bromoethenyl)benzene
    • beta-Bromostyrene, 97%
    • trans-I(2)-Bromostyrene
    • Benzene, (2bromoethenyl)
    • alphaBromobetaphenylethylene
    • WLN: E1U1R
    • ghl.PD_Mitscher_leg0.123
    • 2-(BROMOVINYL)BENZENE
    • SCHEMBL331174
    • CHEMBL217948
    • trans-(2-bromo-vinyl)-benzene
    • beta-Bromostyrene, cis + trans
    • [(E)-2-bromanylethenyl]benzene
    • DTXCID5034149
    • (E)-.BETA.-BROMOSTYRENE
    • [(E)-2-Bromoethenyl]benzene #
    • NSC8047
    • Beta-bromostyrene beta-bromostyrene
    • DTXSID601315060
    • TRANS-.OMEGA.-BROMOSTYRENE
    • .BETA.-BROMOSTYRENE [HSDB]
    • .BETA.-BROMOSTYRENE, (E)-
    • beta-Bromostyrene, cis + trans, stab. with 0.1% 4-tert-butylcatechol
    • AKOS015889575
    • AKOS025310673
    • AS-13048
    • FB164798
    • |A-Bromostyrene (cis- and trans- mixture)
    • B0655
    • CS-0059292
    • CS-0356736
    • NS00012020
    • D70190
    • EN300-125201
    • A800963
    • Q27282242
    • 203-131-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.41
    methanol 41.93
    isopropanol 61.93
    water 0.12
    ethyl acetate 267.7
    n-propanol 78.9
    acetone 376.07
    n-butanol 84.74
    acetonitrile 146.67
    DMF 249.39
    toluene 463.12
    isobutanol 67.33
    1,4-dioxane 563.49
    methyl acetate 225.98
    THF 788.31
    2-butanone 275.73
    n-pentanol 87.76
    sec-butanol 76.46
    n-hexane 85.93
    ethylene glycol 19.4
    NMP 304.46
    cyclohexane 220.88
    DMSO 341.01
    n-butyl acetate 279.64
    n-octanol 93.98
    chloroform 778.8
    n-propyl acetate 212.11
    acetic acid 125.46
    dichloromethane 812.73
    cyclohexanone 466.79
    propylene glycol 24.61
    isopropyl acetate 179.6
    DMAc 212.37
    2-ethoxyethanol 130.88
    isopentanol 85.71
    n-heptane 129.12
    ethyl formate 116.95
    1,2-dichloroethane 544.7
    n-hexanol 131.48
    2-methoxyethanol 139.86
    isobutyl acetate 178.04
    tetrachloromethane 194.69
    n-pentyl acetate 175.78
    transcutol 616.01
    n-heptanol 86.45
    ethylbenzene 207.9
    MIBK 183.14
    2-propoxyethanol 190.7
    tert-butanol 100.41
    MTBE 194.58
    2-butoxyethanol 141.64
    propionic acid 84.0
    o-xylene 220.9
    formic acid 20.49
    diethyl ether 287.78
    m-xylene 254.09
    p-xylene 221.86
    chlorobenzene 382.9
    dimethyl carbonate 128.61
    n-octane 51.77
    formamide 48.52
    cyclopentanone 531.26
    2-pentanone 258.41
    anisole 326.62
    cyclopentyl methyl ether 394.72
    gamma-butyrolactone 420.39
    1-methoxy-2-propanol 119.32
    pyridine 605.87
    3-pentanone 231.21
    furfural 401.11
    n-dodecane 36.25
    diethylene glycol 113.95
    diisopropyl ether 138.93
    tert-amyl alcohol 97.76
    acetylacetone 361.19
    n-hexadecane 41.9
    acetophenone 265.73
    methyl propionate 195.85
    isopentyl acetate 233.0
    trichloroethylene 963.6
    n-nonanol 92.78
    cyclohexanol 158.48
    benzyl alcohol 162.28
    2-ethylhexanol 135.84
    isooctanol 84.43
    dipropyl ether 272.26
    1,2-dichlorobenzene 304.91
    ethyl lactate 76.25
    propylene carbonate 254.83
    n-methylformamide 87.34
    2-pentanol 81.97
    n-pentane 73.36
    1-propoxy-2-propanol 177.99
    1-methoxy-2-propyl acetate 238.8
    2-(2-methoxypropoxy) propanol 173.8
    mesitylene 169.51
    ε-caprolactone 329.2
    p-cymene 148.7
    epichlorohydrin 579.42
    1,1,1-trichloroethane 522.84
    2-aminoethanol 34.16
    morpholine-4-carbaldehyde 342.71
    sulfolane 450.71
    2,2,4-trimethylpentane 42.41
    2-methyltetrahydrofuran 538.27
    n-hexyl acetate 205.31
    isooctane 42.91
    2-(2-butoxyethoxy)ethanol 229.01
    sec-butyl acetate 171.7
    tert-butyl acetate 228.37
    decalin 98.58
    glycerin 40.08
    diglyme 462.62
    acrylic acid 90.26
    isopropyl myristate 122.72
    n-butyric acid 132.09
    acetyl acetate 219.24
    di(2-ethylhexyl) phthalate 102.63
    ethyl propionate 177.25
    nitromethane 229.21
    1,2-diethoxyethane 364.55
    benzonitrile 223.95
    trioctyl phosphate 74.48
    1-bromopropane 353.64
    gamma-valerolactone 458.44
    n-decanol 75.99
    triethyl phosphate 115.23
    4-methyl-2-pentanol 68.83
    propionitrile 119.67
    vinylene carbonate 230.18
    1,1,2-trichlorotrifluoroethane 284.02
    DMS 202.88
    cumene 127.14
    2-octanol 70.91
    2-hexanone 230.12
    octyl acetate 132.21
    limonene 203.33
    1,2-dimethoxyethane 345.3
    ethyl orthosilicate 119.38
    tributyl phosphate 86.39
    diacetone alcohol 181.23
    N,N-dimethylaniline 211.88
    acrylonitrile 138.26
    aniline 238.08
    1,3-propanediol 52.08
    bromobenzene 508.68
    dibromomethane 617.41
    1,1,2,2-tetrachloroethane 656.7
    2-methyl-cyclohexyl acetate 196.77
    tetrabutyl urea 123.59
    diisobutyl methanol 106.62
    2-phenylethanol 186.6
    styrene 275.42
    dioctyl adipate 165.61
    dimethyl sulfate 193.01
    ethyl butyrate 232.61
    methyl lactate 74.09
    butyl lactate 100.79
    diethyl carbonate 153.27
    propanediol butyl ether 102.49
    triethyl orthoformate 178.66
    p-tert-butyltoluene 147.89
    methyl 4-tert-butylbenzoate 202.78
    morpholine 436.9
    tert-butylamine 83.06
    n-dodecanol 67.21
    dimethoxymethane 269.12
    ethylene carbonate 184.67
    cyrene 187.55
    2-ethoxyethyl acetate 239.35
    2-ethylhexyl acetate 223.33
    1,2,4-trichlorobenzene 355.23
    4-methylpyridine 451.11
    dibutyl ether 207.75
    2,6-dimethyl-4-heptanol 106.62
    DEF 216.1
    dimethyl isosorbide 358.23
    tetrachloroethylene 486.52
    eugenol 178.33
    triacetin 209.57
    span 80 169.72
    1,4-butanediol 33.12
    1,1-dichloroethane 430.09
    2-methyl-1-pentanol 97.61
    methyl formate 97.12
    2-methyl-1-butanol 82.07
    n-decane 53.73
    butyronitrile 133.21
    3,7-dimethyl-1-octanol 114.23
    1-chlorooctane 133.73
    1-chlorotetradecane 69.74
    n-nonane 57.17
    undecane 42.13
    tert-butylcyclohexane 74.82
    cyclooctane 101.9
    cyclopentanol 151.13
    tetrahydropyran 567.06
    tert-amyl methyl ether 168.02
    2,5,8-trioxanonane 348.12
    1-hexene 167.31
    2-isopropoxyethanol 131.51
    2,2,2-trifluoroethanol 50.53
    methyl butyrate 208.01

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
Bromostyrene should not be used as a fragrance ingredient.