3,4-Bis(4-methoxyphenyl)hex-3-ene

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  • Identifiers

    CAS number
    130-79-0

    Molecular formula
    C20H24O2

    SMILES
    CC/C(=C(/CC)\C1=CC=C(C=C1)OC)/C2=CC=C(C=C2)OC

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 58.91%
    Spicy 44.28%
    Sweet 37.98%
    Balsamic 34.72%
    Fruity 32.02%
    Powdery 29.15%
    Woody 28.9%
    Herbal 28.49%
    Anisic 28.42%
    Rose 28.24%

     

    Flavor
    Bitter 33.82%
    Balsam 26.67%
    Herbal 22.3%
    Woody 20.3%
    Heather 19.6%
    Genet 19.41%
    Parsley 19.21%
    Broom 19.19%
    Lovage 19.16%
    Creosote 18.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    8.35 (weak base)

    Molecular weight
    296.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    392°C

    Flash point

    • 162.98 ˚C est.

  • Synonyms

    • 3,4-Bis(4-methoxyphenyl)hex-3-ene
    • RefChem:485807
    • 231-872-2
    • Dimestrol
    • Diethylstilbestrol dimethyl ether
    • 130-79-0
    • Synthila
    • Depot-oestromon
    • Depot-oestromenine
    • 7773-34-4
    • Stilbestrol dimethyl ether
    • 1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene
    • 3,4-Bis(p-methoxyphenyl)-3-hexene
    • 6H0MA01FTS
    • CHEMBL113650
    • 3,4-Dianisyl-3-hexene
    • CHEBI:34701
    • Benzene, 1,1'-(1,2-diethyl-1,2-ethenediyl)bis(4-methoxy-
    • Benzene, 1,1'-(1,2-diethyl-1,2-ethenediyl)bis[4-methoxy-
    • 4,4'-(Hex-3-ene-3,4-diyl)bis(methoxybenzene)
    • Dimoestrol
    • NSC 8137
    • EINECS 231-872-2
    • NSC 41198
    • UNII-6H0MA01FTS
    • 3-Hexene, 3,4-bis(p-methoxyphenyl)-
    • BRN 2057686
    • 3-Hexene, 3,4-bis(4-methoxyphenyl)-
    • Depoestron
    • (E)-1,1'-(1,2-Diethyl-1,2-ethenediyl)bis(4-methoxybenzene)
    • (E)-1,1'-(1,2-Diethyl-1,2-ethenediyl)bis[4-methoxybenzene]
    • 3,4-Di-p-anisyl-3-hexene
    • Estrastilbene d
    • 4,4'-Dimethoxy-alpha,beta-diethylstilbene
    • Depot-cyren
    • Depot-oestrromon
    • Depot-oestromenin
    • Oestromenine-depot
    • Estromenin-deposito
    • Oestrastilben (d)
    • trans-alpha,alpha'-Diethyl-4,4'-dimethoxystilbene
    • EINECS 204-994-9
    • DIETHYLSTILBESTROLDIMETHYLETHER
    • STILBENE, alpha,alpha'-DIETHYL-4,4'-DIMETHOXY-
    • 1-methoxy-4-[(3E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene
    • DIMESTROL [MI]
    • (E)-1,1'-(1,2-Diethyl-1,2-ethene-diyl)bis(4-methoxybenzene)
    • (E)-4,4'-(1,2-Diethylethylene)dianisole
    • Dimethoxydiethylstilbestrol
    • alpha,alpha'-Diethyl-4,4'-dimethoxystilbene
    • dimethoxy-diethylstilbestrol
    • DIMESTROL [WHO-DD]
    • SCHEMBL554921
    • orb1697421
    • DTXSID60860026
    • Stilbestrol dimethyl ether, trans
    • trans-3,4-Di-p-anisyl-3-hexene
    • BDBM50130717
    • AKOS022180766
    • Diethylstilbestrol dimethyl ether, trans
    • HY-121198
    • NS00037946
    • 3,4-bis-(4-methoxy-phenyl)-trans-hex-3-ene
    • (E)-3,4-BIS(P-METHOXYPHENYL)-3-HEXENE
    • Q27116231
    • 1,1'-(3E)-hex-3-ene-3,4-diylbis(4-methoxybenzene)
    • 1,1'-[(3E)-Hex-3-ene-3,4-diyl]bis(4-methoxybenzene)
    • (E)-.ALPHA.,.ALPHA.'-DIETHYL-4,4'-DIMETHOXYSTILBENE
    • Stilbene, .alpha.,.alpha.'-diethyl-4,4'-dimethoxy-, (E)-
    • 1,1a(2)-[(1E)-1,2-Diethyl-1,2-ethenediyl]bis[4-methoxybenzene]
    • Benzene, 1,1'-(1,2-diethyl-1,2-ethenediyl)bis[4-methoxy-, (E)-
    • 1,1'-((1E)-1,2-DIETHYL-1,2-ETHENEDIYL)BIS(4-METHOXYBENZENE)
    • 1-[(1E)-1-Ethyl-2-(4-methoxyphenyl)-1-butenyl]-4-methoxybenzene #
    • 1,1'-(1,2-Diethyl-1,2-ethenediyl)bis[4-methoxybenzene; a,a'-Diethyl-4,4'-dimethoxystilbene; 3,4-Bis(4-methoxyphenyl)-3-hexene; NSC 41198; NSC 8137; Diethylstilbestrol dimethyl ether
    • 7773-34-4

  • Applications

    3,4-Bis(4-methoxyphenyl)hex-3-ene (CAS 130-79-0) is primarily used as an organic-synthesis intermediate, serving as a building block for dyes and pigments, including conjugated chromophores for coatings and inks; it is also encountered as a precursor in fragrance chemistry for anisyl-substituted aroma compounds; in research and development, its stilbene-like conjugated structure is explored for optoelectronic materials such as fluorophores and related conjugated polymers, and it can function as a precursor to specialty polymer units or crosslinkers in plastics formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.5
    methanol 11.32
    isopropanol 10.0
    water 0.01
    ethyl acetate 152.8
    n-propanol 19.94
    acetone 128.52
    n-butanol 19.3
    acetonitrile 57.81
    DMF 186.71
    toluene 98.27
    isobutanol 15.59
    1,4-dioxane 262.32
    methyl acetate 133.5
    THF 397.95
    2-butanone 140.61
    n-pentanol 20.66
    sec-butanol 15.4
    n-hexane 20.21
    ethylene glycol 3.38
    NMP 274.83
    cyclohexane 34.15
    DMSO 156.75
    n-butyl acetate 132.84
    n-octanol 10.3
    chloroform 1009.18
    n-propyl acetate 115.81
    acetic acid 36.43
    dichloromethane 1270.61
    cyclohexanone 264.21
    propylene glycol 4.43
    isopropyl acetate 106.27
    DMAc 245.67
    2-ethoxyethanol 63.81
    isopentanol 20.62
    n-heptane 11.74
    ethyl formate 59.67
    1,2-dichloroethane 802.05
    n-hexanol 23.85
    2-methoxyethanol 61.31
    isobutyl acetate 79.03
    tetrachloromethane 119.52
    n-pentyl acetate 71.43
    transcutol 217.11
    n-heptanol 13.13
    ethylbenzene 71.98
    MIBK 81.35
    2-propoxyethanol 75.36
    tert-butanol 23.82
    MTBE 89.04
    2-butoxyethanol 40.06
    propionic acid 35.19
    o-xylene 74.2
    formic acid 8.19
    diethyl ether 152.45
    m-xylene 64.71
    p-xylene 81.0
    chlorobenzene 202.85
    dimethyl carbonate 96.3
    n-octane 4.77
    formamide 26.61
    cyclopentanone 366.11
    2-pentanone 115.98
    anisole 164.91
    cyclopentyl methyl ether 218.72
    gamma-butyrolactone 365.8
    1-methoxy-2-propanol 48.93
    pyridine 218.39
    3-pentanone 163.99
    furfural 299.0
    n-dodecane 2.67
    diethylene glycol 40.39
    diisopropyl ether 52.73
    tert-amyl alcohol 26.2
    acetylacetone 206.6
    n-hexadecane 3.41
    acetophenone 149.76
    methyl propionate 144.09
    isopentyl acetate 122.93
    trichloroethylene 1305.64
    n-nonanol 12.36
    cyclohexanol 33.93
    benzyl alcohol 62.56
    2-ethylhexanol 28.41
    isooctanol 14.37
    dipropyl ether 103.61
    1,2-dichlorobenzene 262.31
    ethyl lactate 40.44
    propylene carbonate 162.18
    n-methylformamide 52.29
    2-pentanol 16.02
    n-pentane 10.32
    1-propoxy-2-propanol 56.61
    1-methoxy-2-propyl acetate 168.68
    2-(2-methoxypropoxy) propanol 60.89
    mesitylene 46.23
    ε-caprolactone 205.12
    p-cymene 44.5
    epichlorohydrin 636.97
    1,1,1-trichloroethane 536.62
    2-aminoethanol 8.26
    morpholine-4-carbaldehyde 286.5
    sulfolane 442.59
    2,2,4-trimethylpentane 8.07
    2-methyltetrahydrofuran 231.68
    n-hexyl acetate 69.68
    isooctane 5.25
    2-(2-butoxyethoxy)ethanol 62.92
    sec-butyl acetate 91.22
    tert-butyl acetate 147.96
    decalin 23.24
    glycerin 10.63
    diglyme 224.06
    acrylic acid 37.96
    isopropyl myristate 36.01
    n-butyric acid 52.28
    acetyl acetate 132.01
    di(2-ethylhexyl) phthalate 33.13
    ethyl propionate 130.85
    nitromethane 160.04
    1,2-diethoxyethane 166.55
    benzonitrile 88.79
    trioctyl phosphate 18.93
    1-bromopropane 262.39
    gamma-valerolactone 372.12
    n-decanol 9.67
    triethyl phosphate 88.3
    4-methyl-2-pentanol 13.61
    propionitrile 65.75
    vinylene carbonate 157.25
    1,1,2-trichlorotrifluoroethane 284.18
    DMS 155.46
    cumene 47.28
    2-octanol 10.17
    2-hexanone 101.66
    octyl acetate 38.41
    limonene 60.76
    1,2-dimethoxyethane 222.81
    ethyl orthosilicate 81.29
    tributyl phosphate 32.83
    diacetone alcohol 77.27
    N,N-dimethylaniline 112.91
    acrylonitrile 84.25
    aniline 77.11
    1,3-propanediol 15.51
    bromobenzene 286.45
    dibromomethane 689.27
    1,1,2,2-tetrachloroethane 929.59
    2-methyl-cyclohexyl acetate 114.39
    tetrabutyl urea 46.45
    diisobutyl methanol 22.82
    2-phenylethanol 62.92
    styrene 91.44
    dioctyl adipate 64.4
    dimethyl sulfate 191.57
    ethyl butyrate 135.27
    methyl lactate 43.63
    butyl lactate 38.33
    diethyl carbonate 105.32
    propanediol butyl ether 20.21
    triethyl orthoformate 108.29
    p-tert-butyltoluene 42.15
    methyl 4-tert-butylbenzoate 98.32
    morpholine 225.05
    tert-butylamine 19.43
    n-dodecanol 8.09
    dimethoxymethane 200.77
    ethylene carbonate 127.73
    cyrene 90.11
    2-ethoxyethyl acetate 141.79
    2-ethylhexyl acetate 117.86
    1,2,4-trichlorobenzene 302.5
    4-methylpyridine 170.02
    dibutyl ether 54.24
    2,6-dimethyl-4-heptanol 22.82
    DEF 189.43
    dimethyl isosorbide 203.34
    tetrachloroethylene 570.63
    eugenol 75.44
    triacetin 107.11
    span 80 39.49
    1,4-butanediol 8.57
    1,1-dichloroethane 411.75
    2-methyl-1-pentanol 25.49
    methyl formate 55.33
    2-methyl-1-butanol 21.23
    n-decane 5.02
    butyronitrile 49.99
    3,7-dimethyl-1-octanol 16.73
    1-chlorooctane 25.73
    1-chlorotetradecane 11.08
    n-nonane 4.68
    undecane 3.48
    tert-butylcyclohexane 17.35
    cyclooctane 13.98
    cyclopentanol 38.83
    tetrahydropyran 208.99
    tert-amyl methyl ether 84.21
    2,5,8-trioxanonane 139.55
    1-hexene 47.84
    2-isopropoxyethanol 51.05
    2,2,2-trifluoroethanol 26.75
    methyl butyrate 139.17

    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