1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene

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  • Identifiers

    CAS number
    6362-80-7

    Molecular formula
    C18H20

    SMILES
    CC(C)(CC(=C)C1=CC=CC=C1)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 62.47%
    Green 53.13%
    Woody 46.38%
    Rose 42.16%
    Balsamic 42.0%
    Fresh 38.6%
    Herbal 37.03%
    Spicy 32.35%
    Oily 30.86%
    Waxy 30.63%

     

    Flavor
    Woody 24.51%
    Herb 23.86%
    Green 23.18%
    Wood 22.95%
    Styrene 19.72%
    Spice 19.34%
    Balsam 19.26%
    Diterpene 18.98%
    Heather 18.8%
    Low 18.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    7.72 (neutral)

    Molecular weight
    236.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Flash point

    • 149.03 ˚C est.

  • Synonyms

    • 6362-80-7
    • 2,4-Diphenyl-4-methyl-1-pentene
    • (4-Methylpent-1-ene-2,4-diyl)dibenzene
    • 4-Methyl-2,4-diphenyl-1-pentene
    • Benzene, 1,1'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis-
    • (2-methyl-4-phenylpent-4-en-2-yl)benzene
    • Nofmer MSD
    • DTXSID3044253
    • 2W7U3P4C7E
    • 1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene
    • EINECS 228-846-8
    • 4,4-Dimethyl-2,4-diphenyl-1-butene
    • UNII-2W7U3P4C7E
    • MFCD00044027
    • EC 228-846-8
    • DTXCID1024253
    • ZOKCNEIWFQCSCM-UHFFFAOYSA-
    • GAA36280
    • AKOS015912557
    • BS-51734
    • 2 pound not4-Diphenyl-4-methyl-1-pentene
    • 2,4-Diphenyl-4-methyl-1-pentene, 97%
    • DB-054515
    • CS-0362952
    • D2497
    • NS00009048
    • (1,1-Dimethyl-3-phenyl-3-butenyl)benzene #
    • F71236
    • (4-METHYL-4-PHENYLPENT-1-EN-2-YL)BENZENE
    • Q27255693
    • DIMETHYL-3-METHYLENE-1,3-PROPANEDILY)BISBENZENE, 1,1'-(1,1-
    • InChI=1/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3

  • Applications

    1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene (CAS 6362-80-7) is primarily considered as a building block for chemical synthesis, typically used as an intermediate in the production of specialty chemicals. It can act as a crosslinking agent or spacer within polymer networks, with potential applications in coatings, paints, and adhesives. In materials science, it is explored as a precursor for dyes and pigments and has potential as a component for organic electronic or liquid crystalline materials. Additionally, it may be evaluated for niche synthetic routes and advanced materials research, while being subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.72
    methanol 75.71
    isopropanol 83.39
    water 0.01
    ethyl acetate 662.39
    n-propanol 143.29
    acetone 425.73
    n-butanol 169.24
    acetonitrile 142.89
    DMF 417.59
    toluene 690.1
    isobutanol 98.91
    1,4-dioxane 1049.74
    methyl acetate 338.88
    THF 2021.3
    2-butanone 511.31
    n-pentanol 119.88
    sec-butanol 108.17
    n-hexane 151.34
    ethylene glycol 5.96
    NMP 337.48
    cyclohexane 173.48
    DMSO 186.1
    n-butyl acetate 604.73
    n-octanol 77.93
    chloroform 884.09
    n-propyl acetate 308.16
    acetic acid 55.28
    dichloromethane 914.48
    cyclohexanone 771.09
    propylene glycol 16.96
    isopropyl acetate 433.57
    DMAc 457.98
    2-ethoxyethanol 147.81
    isopentanol 156.41
    n-heptane 128.57
    ethyl formate 157.95
    1,2-dichloroethane 842.25
    n-hexanol 237.69
    2-methoxyethanol 203.64
    isobutyl acetate 267.18
    tetrachloromethane 93.48
    n-pentyl acetate 214.42
    transcutol 1110.6
    n-heptanol 87.86
    ethylbenzene 312.91
    MIBK 372.71
    2-propoxyethanol 338.38
    tert-butanol 148.15
    MTBE 528.07
    2-butoxyethanol 151.8
    propionic acid 63.4
    o-xylene 251.03
    formic acid 6.79
    diethyl ether 1049.2
    m-xylene 335.14
    p-xylene 275.12
    chlorobenzene 391.58
    dimethyl carbonate 187.82
    n-octane 39.71
    formamide 20.11
    cyclopentanone 861.48
    2-pentanone 576.23
    anisole 542.9
    cyclopentyl methyl ether 841.15
    gamma-butyrolactone 606.11
    1-methoxy-2-propanol 199.81
    pyridine 744.77
    3-pentanone 506.9
    furfural 369.78
    n-dodecane 21.54
    diethylene glycol 95.74
    diisopropyl ether 287.36
    tert-amyl alcohol 139.8
    acetylacetone 525.57
    n-hexadecane 26.56
    acetophenone 321.36
    methyl propionate 423.9
    isopentyl acetate 555.67
    trichloroethylene 1172.79
    n-nonanol 84.24
    cyclohexanol 162.41
    benzyl alcohol 163.16
    2-ethylhexanol 210.79
    isooctanol 91.35
    dipropyl ether 839.15
    1,2-dichlorobenzene 327.92
    ethyl lactate 80.27
    propylene carbonate 306.83
    n-methylformamide 87.97
    2-pentanol 130.9
    n-pentane 86.65
    1-propoxy-2-propanol 292.1
    1-methoxy-2-propyl acetate 548.74
    2-(2-methoxypropoxy) propanol 227.25
    mesitylene 186.88
    ε-caprolactone 528.35
    p-cymene 161.73
    epichlorohydrin 1048.64
    1,1,1-trichloroethane 539.66
    2-aminoethanol 22.68
    morpholine-4-carbaldehyde 474.11
    sulfolane 452.74
    2,2,4-trimethylpentane 45.59
    2-methyltetrahydrofuran 1064.84
    n-hexyl acetate 301.03
    isooctane 41.98
    2-(2-butoxyethoxy)ethanol 298.29
    sec-butyl acetate 287.23
    tert-butyl acetate 486.83
    decalin 90.34
    glycerin 24.9
    diglyme 776.06
    acrylic acid 44.88
    isopropyl myristate 165.71
    n-butyric acid 174.93
    acetyl acetate 276.74
    di(2-ethylhexyl) phthalate 114.26
    ethyl propionate 340.89
    nitromethane 158.76
    1,2-diethoxyethane 815.36
    benzonitrile 202.3
    trioctyl phosphate 73.53
    1-bromopropane 629.77
    gamma-valerolactone 739.4
    n-decanol 67.06
    triethyl phosphate 164.91
    4-methyl-2-pentanol 105.14
    propionitrile 217.88
    vinylene carbonate 239.38
    1,1,2-trichlorotrifluoroethane 237.06
    DMS 280.37
    cumene 177.81
    2-octanol 60.91
    2-hexanone 358.03
    octyl acetate 168.77
    limonene 263.38
    1,2-dimethoxyethane 608.24
    ethyl orthosilicate 171.89
    tributyl phosphate 104.67
    diacetone alcohol 279.31
    N,N-dimethylaniline 319.95
    acrylonitrile 179.85
    aniline 265.32
    1,3-propanediol 53.36
    bromobenzene 523.7
    dibromomethane 630.99
    1,1,2,2-tetrachloroethane 887.12
    2-methyl-cyclohexyl acetate 323.05
    tetrabutyl urea 138.31
    diisobutyl methanol 146.25
    2-phenylethanol 223.35
    styrene 362.28
    dioctyl adipate 217.28
    dimethyl sulfate 184.02
    ethyl butyrate 490.45
    methyl lactate 80.27
    butyl lactate 113.51
    diethyl carbonate 264.11
    propanediol butyl ether 85.34
    triethyl orthoformate 310.83
    p-tert-butyltoluene 165.16
    methyl 4-tert-butylbenzoate 271.13
    morpholine 976.77
    tert-butylamine 125.22
    n-dodecanol 56.1
    dimethoxymethane 607.6
    ethylene carbonate 231.75
    cyrene 168.78
    2-ethoxyethyl acetate 359.56
    2-ethylhexyl acetate 462.07
    1,2,4-trichlorobenzene 367.36
    4-methylpyridine 682.18
    dibutyl ether 372.51
    2,6-dimethyl-4-heptanol 146.25
    DEF 508.43
    dimethyl isosorbide 534.04
    tetrachloroethylene 435.74
    eugenol 191.18
    triacetin 255.47
    span 80 162.38
    1,4-butanediol 19.66
    1,1-dichloroethane 537.36
    2-methyl-1-pentanol 140.93
    methyl formate 81.73
    2-methyl-1-butanol 142.22
    n-decane 43.15
    butyronitrile 280.93
    3,7-dimethyl-1-octanol 128.06
    1-chlorooctane 161.71
    1-chlorotetradecane 63.52
    n-nonane 44.09
    undecane 28.99
    tert-butylcyclohexane 85.17
    cyclooctane 76.32
    cyclopentanol 125.87
    tetrahydropyran 1318.31
    tert-amyl methyl ether 414.68
    2,5,8-trioxanonane 456.96
    1-hexene 425.51
    2-isopropoxyethanol 139.25
    2,2,2-trifluoroethanol 16.81
    methyl butyrate 367.08

    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