8-Bromo-9-chlorododec-1-ene

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  • Identifiers

    CAS number
    958785-01-8

    Molecular formula
    C12H22BrCl

    SMILES
    CCCC(C(CCCCCC=C)Br)Cl

  • Odor profile

    Fragrance
    Waxy 43.91%
    Citrus 39.49%
    Fatty 36.62%
    Fresh 35.9%
    Oily 34.79%
    Herbal 33.29%
    Woody 32.83%
    Fruity 31.09%
    Floral 26.69%
    Green 26.37%

     

    Flavor
    Skunky 19.97%
    Delicate 19.55%
    Glue 19.38%
    Bloody 19.36%
    Oriental 18.88%
    Diterpene 18.73%
    Bland 18.55%
    Slightly waxy 18.55%
    Leathery 18.48%
    Sulfurous 18.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    6.78 (neutral)

    Molecular weight
    281.66 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    283°C

    Flash point

    • 120.59 ˚C est.

  • Synonyms

    • 8-bromo-9-chlorododec-1-ene
    • DTXSID80880428
    • 958785-01-8
    • EINECS 271-246-6
    • Alkenes, C12-30 alpha-, bromo chloro
    • C12-30 Bromochloro alpha-alkenes
    • DTXCID401021873
    • C12-30 Bromochloro .alpha.-alkenes

  • Applications

    8-Bromo-9-chlorododec-1-ene (CAS 958785-01-8) is primarily used as a reactive intermediate in organic synthesis, providing a vinyl halide building block for cross-coupling and other transformations. It is employed in the development of specialty polymers and functionalized coatings, where the halogenated olefin enables post-polymerization modification and crosslinking. The compound also serves as a synthetic precursor in pharmaceutical and agrochemical research pipelines, enabling formation of longer-chain or more complex molecules through vinyl-block building strategies. In industrial manufacturing, it can function as a route-specific intermediate for the preparation of fine chemicals and specialty materials, and may be encountered in adhesive and coating formulations as a reactive monomer or crosslinking agent under appropriate handling and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 350.88
    methanol 132.8
    isopropanol 370.51
    water 0.01
    ethyl acetate 916.25
    n-propanol 398.2
    acetone 1306.34
    n-butanol 528.02
    acetonitrile 206.29
    DMF 649.44
    toluene 1208.23
    isobutanol 390.1
    1,4-dioxane 1742.31
    methyl acetate 574.65
    THF 3500.16
    2-butanone 1136.45
    n-pentanol 482.41
    sec-butanol 458.33
    n-hexane 217.2
    ethylene glycol 19.34
    NMP 904.61
    cyclohexane 690.32
    DMSO 876.06
    n-butyl acetate 1331.38
    n-octanol 326.91
    chloroform 1758.46
    n-propyl acetate 790.64
    acetic acid 236.31
    dichloromethane 1656.64
    cyclohexanone 2264.6
    propylene glycol 64.34
    isopropyl acetate 773.48
    DMAc 694.16
    2-ethoxyethanol 529.69
    isopentanol 577.9
    n-heptane 320.06
    ethyl formate 336.16
    1,2-dichloroethane 1268.07
    n-hexanol 654.29
    2-methoxyethanol 519.77
    isobutyl acetate 689.16
    tetrachloromethane 424.44
    n-pentyl acetate 836.34
    transcutol 2266.22
    n-heptanol 311.35
    ethylbenzene 506.35
    MIBK 855.44
    2-propoxyethanol 782.16
    tert-butanol 554.95
    MTBE 1029.62
    2-butoxyethanol 497.61
    propionic acid 220.38
    o-xylene 613.1
    formic acid 22.1
    diethyl ether 1179.07
    m-xylene 745.29
    p-xylene 617.76
    chlorobenzene 936.95
    dimethyl carbonate 174.37
    n-octane 103.98
    formamide 47.87
    cyclopentanone 1917.64
    2-pentanone 1302.17
    anisole 738.6
    cyclopentyl methyl ether 1717.92
    gamma-butyrolactone 1169.09
    1-methoxy-2-propanol 517.52
    pyridine 1456.48
    3-pentanone 838.08
    furfural 889.85
    n-dodecane 61.17
    diethylene glycol 314.53
    diisopropyl ether 528.84
    tert-amyl alcohol 543.79
    acetylacetone 1111.13
    n-hexadecane 74.32
    acetophenone 717.05
    methyl propionate 526.61
    isopentyl acetate 1226.34
    trichloroethylene 2041.51
    n-nonanol 309.12
    cyclohexanol 907.98
    benzyl alcohol 498.45
    2-ethylhexanol 554.73
    isooctanol 304.62
    dipropyl ether 1039.51
    1,2-dichlorobenzene 761.43
    ethyl lactate 226.98
    propylene carbonate 706.29
    n-methylformamide 172.41
    2-pentanol 494.37
    n-pentane 219.06
    1-propoxy-2-propanol 805.32
    1-methoxy-2-propyl acetate 1051.89
    2-(2-methoxypropoxy) propanol 560.97
    mesitylene 492.5
    ε-caprolactone 1447.51
    p-cymene 410.85
    epichlorohydrin 1684.0
    1,1,1-trichloroethane 1509.79
    2-aminoethanol 75.72
    morpholine-4-carbaldehyde 1018.2
    sulfolane 1347.04
    2,2,4-trimethylpentane 124.0
    2-methyltetrahydrofuran 2610.99
    n-hexyl acetate 854.35
    isooctane 114.02
    2-(2-butoxyethoxy)ethanol 750.72
    sec-butyl acetate 659.8
    tert-butyl acetate 1011.8
    decalin 238.41
    glycerin 79.52
    diglyme 1451.02
    acrylic acid 143.99
    isopropyl myristate 408.22
    n-butyric acid 532.96
    acetyl acetate 495.3
    di(2-ethylhexyl) phthalate 309.67
    ethyl propionate 546.9
    nitromethane 375.91
    1,2-diethoxyethane 1520.43
    benzonitrile 615.09
    trioctyl phosphate 234.63
    1-bromopropane 1074.79
    gamma-valerolactone 1759.77
    n-decanol 239.24
    triethyl phosphate 336.87
    4-methyl-2-pentanol 350.25
    propionitrile 288.81
    vinylene carbonate 498.47
    1,1,2-trichlorotrifluoroethane 681.01
    DMS 495.79
    cumene 322.74
    2-octanol 279.81
    2-hexanone 961.75
    octyl acetate 455.0
    limonene 720.92
    1,2-dimethoxyethane 1311.38
    ethyl orthosilicate 375.23
    tributyl phosphate 293.97
    diacetone alcohol 785.49
    N,N-dimethylaniline 487.4
    acrylonitrile 248.36
    aniline 631.28
    1,3-propanediol 196.04
    bromobenzene 1194.87
    dibromomethane 1345.32
    1,1,2,2-tetrachloroethane 1631.18
    2-methyl-cyclohexyl acetate 700.79
    tetrabutyl urea 395.71
    diisobutyl methanol 428.54
    2-phenylethanol 592.6
    styrene 644.8
    dioctyl adipate 531.66
    dimethyl sulfate 270.23
    ethyl butyrate 851.22
    methyl lactate 183.02
    butyl lactate 439.39
    diethyl carbonate 443.48
    propanediol butyl ether 387.67
    triethyl orthoformate 647.19
    p-tert-butyltoluene 417.76
    methyl 4-tert-butylbenzoate 546.7
    morpholine 1853.98
    tert-butylamine 427.06
    n-dodecanol 201.42
    dimethoxymethane 691.43
    ethylene carbonate 494.06
    cyrene 528.94
    2-ethoxyethyl acetate 944.68
    2-ethylhexyl acetate 1031.04
    1,2,4-trichlorobenzene 875.97
    4-methylpyridine 1532.12
    dibutyl ether 844.54
    2,6-dimethyl-4-heptanol 428.54
    DEF 874.91
    dimethyl isosorbide 1090.89
    tetrachloroethylene 1013.43
    eugenol 477.34
    triacetin 646.55
    span 80 563.59
    1,4-butanediol 108.58
    1,1-dichloroethane 1266.16
    2-methyl-1-pentanol 524.89
    methyl formate 153.91
    2-methyl-1-butanol 509.41
    n-decane 112.26
    butyronitrile 528.17
    3,7-dimethyl-1-octanol 452.7
    1-chlorooctane 390.32
    1-chlorotetradecane 162.19
    n-nonane 117.52
    undecane 77.77
    tert-butylcyclohexane 190.06
    cyclooctane 252.32
    cyclopentanol 737.56
    tetrahydropyran 2710.23
    tert-amyl methyl ether 773.62
    2,5,8-trioxanonane 954.77
    1-hexene 622.78
    2-isopropoxyethanol 505.79
    2,2,2-trifluoroethanol 69.0
    methyl butyrate 782.7

    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