Benzene, [2-[bis[(1-ethenyl-1,5-dimethyl-4-hexenyl)oxy]methyl]-1-heptenyl]-

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  • Identifiers

    CAS number
    67785-71-1

    Molecular formula
    C34H52O2

    SMILES
    CCCCCC(=CC1=CC=CC=C1)C(OC(C)(CCC=C(C)C)C=C)OC(C)(CCC=C(C)C)C=C

    Safety labels

  • Odor profile

    Fragrance
    Floral 78.04%
    Fruity 58.48%
    Sweet 55.68%
    Fresh 47.58%
    Woody 46.8%
    Balsamic 44.75%
    Tropical 43.06%
    Rose 40.81%
    Green 40.68%
    Citrus 38.45%

     

    Flavor
    Herbal 42.17%
    Green 37.6%
    Woody 33.52%
    Floral 31.56%
    Wood 30.7%
    Herb 26.69%
    Bergamot 24.24%
    Citrus 23.99%
    Waxy 23.36%
    Balsam 22.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.3

    pKa est.
    6.38 (neutral)

    Molecular weight
    492.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    475°C

    Flash point

    • 182.65 ˚C est.

  • Synonyms

    • 67785-71-1
    • Benzene, [2-[bis[(1-ethenyl-1,5-dimethyl-4-hexenyl)oxy]methyl]-1-heptenyl]-
    • [2-[bis[(1,5-dimethyl-1-vinyl-4-hexenyl)oxy]methyl]-1-heptenyl]benzene
    • DTXSID60886882
    • Benzene, [2-[bis[(1-ethenyl-1,5-dimethyl-4-hexen-1-yl)oxy]methyl]-1-hepten-1-yl]-
    • HIPTUWNAJGCQAY-UHFFFAOYSA-N
    • NS00055209
    • (2-{bis[(3,7-dimethylocta-1,6-dien-3-yl)oxy]methyl}hept-1-en-1-yl)benzene
    • 67785-71-1

  • Applications

    Chemical name: Benzene, [2-[bis[(1-ethenyl-1,5-dimethyl-4-hexenyl)oxy]methyl]-1-heptenyl]-; CAS number: 67785-71-1. This benzene derivative with vinyl and ether functionalities is used primarily as an intermediate in polymer synthesis and as a functional component in resin and coating formulations. In the polymer and plastics industry, it can serve as a monomer or crosslinking agent for plastics and composites to form durable networks. In coatings and inks, it participates in curing reactions and improves adhesion to substrates. In adhesives and sealants, it can enhance bond strength through reactive groups. In specialty polymer applications for electronics and optoelectronic materials, it may be employed as a reactive monomer or additive to tailor material properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 190.95
    methanol 85.8
    isopropanol 176.59
    water 0.07
    ethyl acetate 1596.73
    n-propanol 288.08
    acetone 563.57
    n-butanol 391.51
    acetonitrile 170.33
    DMF 507.13
    toluene 1205.64
    isobutanol 286.49
    1,4-dioxane 1016.36
    methyl acetate 720.45
    THF 1922.72
    2-butanone 998.93
    n-pentanol 435.94
    sec-butanol 457.17
    n-hexane 665.73
    ethylene glycol 5.8
    NMP 1264.3
    cyclohexane 633.72
    DMSO 312.73
    n-butyl acetate 1497.19
    n-octanol 368.23
    chloroform 2977.34
    n-propyl acetate 1175.7
    acetic acid 334.57
    dichloromethane 2903.59
    cyclohexanone 1767.46
    propylene glycol 25.56
    isopropyl acetate 1351.26
    DMAc 1532.42
    2-ethoxyethanol 447.49
    isopentanol 479.1
    n-heptane 409.12
    ethyl formate 373.56
    1,2-dichloroethane 1737.12
    n-hexanol 491.08
    2-methoxyethanol 321.8
    isobutyl acetate 968.13
    tetrachloromethane 546.48
    n-pentyl acetate 1466.22
    transcutol 2129.9
    n-heptanol 413.1
    ethylbenzene 1006.38
    MIBK 949.02
    2-propoxyethanol 692.1
    tert-butanol 287.01
    MTBE 1248.25
    2-butoxyethanol 720.05
    propionic acid 303.52
    o-xylene 886.53
    formic acid 45.37
    diethyl ether 1444.19
    m-xylene 901.4
    p-xylene 1189.11
    chlorobenzene 1267.84
    dimethyl carbonate 334.18
    n-octane 163.56
    formamide 83.92
    cyclopentanone 1306.11
    2-pentanone 1166.11
    anisole 1173.48
    cyclopentyl methyl ether 1757.62
    gamma-butyrolactone 1223.02
    1-methoxy-2-propanol 419.46
    pyridine 1100.6
    3-pentanone 1144.7
    furfural 790.84
    n-dodecane 76.17
    diethylene glycol 132.39
    diisopropyl ether 803.23
    tert-amyl alcohol 651.34
    acetylacetone 1174.04
    n-hexadecane 91.4
    acetophenone 1090.14
    methyl propionate 958.49
    isopentyl acetate 1647.01
    trichloroethylene 2877.41
    n-nonanol 430.43
    cyclohexanol 652.36
    benzyl alcohol 446.56
    2-ethylhexanol 695.07
    isooctanol 477.5
    dipropyl ether 1306.04
    1,2-dichlorobenzene 1278.58
    ethyl lactate 314.77
    propylene carbonate 937.76
    n-methylformamide 190.91
    2-pentanol 485.83
    n-pentane 351.18
    1-propoxy-2-propanol 720.29
    1-methoxy-2-propyl acetate 1374.22
    2-(2-methoxypropoxy) propanol 801.48
    mesitylene 630.64
    ε-caprolactone 1981.3
    p-cymene 599.55
    epichlorohydrin 1879.76
    1,1,1-trichloroethane 2137.89
    2-aminoethanol 40.65
    morpholine-4-carbaldehyde 1066.04
    sulfolane 1209.31
    2,2,4-trimethylpentane 346.04
    2-methyltetrahydrofuran 2291.17
    n-hexyl acetate 1613.88
    isooctane 165.29
    2-(2-butoxyethoxy)ethanol 912.27
    sec-butyl acetate 1358.3
    tert-butyl acetate 1496.02
    decalin 562.85
    glycerin 38.19
    diglyme 1981.85
    acrylic acid 176.08
    isopropyl myristate 671.81
    n-butyric acid 763.68
    acetyl acetate 975.03
    di(2-ethylhexyl) phthalate 479.31
    ethyl propionate 1276.7
    nitromethane 534.26
    1,2-diethoxyethane 1634.41
    benzonitrile 467.64
    trioctyl phosphate 318.28
    1-bromopropane 1793.75
    gamma-valerolactone 1648.14
    n-decanol 294.49
    triethyl phosphate 686.75
    4-methyl-2-pentanol 389.95
    propionitrile 294.88
    vinylene carbonate 743.08
    1,1,2-trichlorotrifluoroethane 817.57
    DMS 846.3
    cumene 734.54
    2-octanol 368.46
    2-hexanone 1221.67
    octyl acetate 794.9
    limonene 1008.94
    1,2-dimethoxyethane 1106.68
    ethyl orthosilicate 800.48
    tributyl phosphate 440.84
    diacetone alcohol 760.94
    N,N-dimethylaniline 1012.76
    acrylonitrile 238.94
    aniline 576.22
    1,3-propanediol 105.92
    bromobenzene 1668.72
    dibromomethane 2117.84
    1,1,2,2-tetrachloroethane 2643.1
    2-methyl-cyclohexyl acetate 1287.53
    tetrabutyl urea 605.39
    diisobutyl methanol 442.75
    2-phenylethanol 579.49
    styrene 983.94
    dioctyl adipate 896.31
    dimethyl sulfate 458.83
    ethyl butyrate 1523.3
    methyl lactate 239.47
    butyl lactate 661.57
    diethyl carbonate 827.68
    propanediol butyl ether 330.54
    triethyl orthoformate 1213.21
    p-tert-butyltoluene 528.07
    methyl 4-tert-butylbenzoate 1106.45
    morpholine 1238.85
    tert-butylamine 259.67
    n-dodecanol 214.31
    dimethoxymethane 638.79
    ethylene carbonate 720.31
    cyrene 560.99
    2-ethoxyethyl acetate 1525.11
    2-ethylhexyl acetate 1613.75
    1,2,4-trichlorobenzene 1437.89
    4-methylpyridine 1445.54
    dibutyl ether 1215.04
    2,6-dimethyl-4-heptanol 442.75
    DEF 1388.48
    dimethyl isosorbide 1521.95
    tetrachloroethylene 1472.98
    eugenol 684.3
    triacetin 1196.17
    span 80 700.18
    1,4-butanediol 51.38
    1,1-dichloroethane 1715.42
    2-methyl-1-pentanol 700.29
    methyl formate 144.93
    2-methyl-1-butanol 567.88
    n-decane 174.75
    butyronitrile 449.73
    3,7-dimethyl-1-octanol 557.36
    1-chlorooctane 697.37
    1-chlorotetradecane 230.91
    n-nonane 171.86
    undecane 106.0
    tert-butylcyclohexane 457.52
    cyclooctane 347.31
    cyclopentanol 402.34
    tetrahydropyran 1986.9
    tert-amyl methyl ether 1620.5
    2,5,8-trioxanonane 1094.95
    1-hexene 1183.87
    2-isopropoxyethanol 488.47
    2,2,2-trifluoroethanol 100.61
    methyl butyrate 1439.31

    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