3,5-Dimethoxystilbene

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  • Identifiers

    CAS number
    21956-56-9

    Molecular formula
    C16H16O2

    SMILES
    COC1=CC(=CC(=C1)/C=C/C2=CC=CC=C2)OC

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Floral 78.83%
    Sweet 66.94%
    Spicy 60.3%
    Fruity 55.8%
    Balsamic 54.19%
    Powdery 42.96%
    Rose 36.2%
    Honey 35.43%
    Cinnamon 31.74%
    Anisic 27.59%

     

    Flavor
    Balsam 38.45%
    Bitter 37.16%
    Floral 29.04%
    Green 26.12%
    Fruity 22.68%
    Heather 19.96%
    Genet 19.77%
    Broom 19.51%
    Sappy 19.31%
    Nitrile 19.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.67 (neutral)

    Molecular weight
    240.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    403°C

    Flash point

    • 158.06 ˚C est.

  • Synonyms

    • 3,5-Dimethoxystilbene
    • RefChem:414507
    • 21956-56-9
    • 78916-49-1
    • Trans-3,5-Dimethoxystilbene
    • 1,3-Dimethoxy-5-styrylbenzene
    • Pinosylvin dimethyl ether
    • (e)-3,5-dimethoxystilbene
    • (E)-1,3-dimethoxy-5-styrylbenzene
    • 1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
    • 3,5-dimethoxy-trans-stilbene
    • trans-Pinosylvin dimethyl ether
    • 3,5-Dimethoxystilbene ,
    • Pinosylvin, dimethyl ether
    • 1,3-dimethoxy-5-[(1E)-2-phenylethenyl]benzene
    • (E)-1-(3,5-Dimethoxyphenyl)-2-phenylethene
    • MFCD00210545
    • Benzene, 1,3-dimethoxy-5-[(1E)-2-phenylethenyl]-
    • MLS002608528
    • CHEMBL188181
    • DWA4D52V24
    • Stilbene, 3,5-dimethoxy-, (E)-
    • Benzene, 1,3-dimethoxy-5-((1E)-2-phenylethenyl)-
    • 3,5-O-Dimethylpinosylvin
    • NSC43313
    • UNII-DWA4D52V24
    • SCHEMBL918726
    • orb1296857
    • SCHEMBL19210383
    • SCHEMBL25181916
    • CHEBI:173733
    • DTXSID301016205
    • HMS3087I14
    • 3,5-dimethoxystilbene, AldrichCPR
    • BDBM50394654
    • NSC-43313
    • AKOS000277656
    • EBC-611376
    • EBC-617357
    • FP66331
    • HY-W278867
    • 1,3-dimethoxy-5-[(E)-styryl]benzene
    • AC-24222
    • AS-58979
    • SMR001527275
    • CS-0323981
    • D2592
    • NS00076606
    • D90087
    • Benzene, 1,3-dimethoxy-5-(2-phenylethenyl)-, (E)-
    • Q27276649
    • Z3245416406
    • 21956-56-9

  • Applications

    3,5-Dimethoxystilbene (CAS 21956-56-9) is primarily used as an organic synthesis intermediate for stilbene-derivative compounds, including resveratrol analogs and related polyphenolic motifs. It is commonly employed as a building block in pharmaceutical and agrochemical research to illuminate structure-activity relationships and to prepare polyphenol derivatives. The compound also serves as a precursor in the dye and pigment industry for specialty stilbene dyes used in coatings and inks. In materials science, it is investigated as a starting material for photoactive or liquid-crystal polymers, leveraging the rigid stilbene core for photoisomerization and optical switching. Additionally, 3,5-dimethoxystilbene is used as an analytical reference compound or scaffold in chemical libraries and synthetic studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 227.54
    methanol 95.76
    isopropanol 166.09
    water 0.04
    ethyl acetate 576.44
    n-propanol 224.18
    acetone 464.44
    n-butanol 135.35
    acetonitrile 299.6
    DMF 306.2
    toluene 263.72
    isobutanol 114.65
    1,4-dioxane 1120.41
    methyl acetate 522.62
    THF 1319.08
    2-butanone 492.82
    n-pentanol 94.65
    sec-butanol 179.61
    n-hexane 20.0
    ethylene glycol 81.99
    NMP 164.29
    cyclohexane 57.86
    DMSO 1150.11
    n-butyl acetate 134.51
    n-octanol 31.56
    chloroform 1683.41
    n-propyl acetate 173.48
    acetic acid 154.33
    dichloromethane 1731.43
    cyclohexanone 367.06
    propylene glycol 306.45
    isopropyl acetate 176.65
    DMAc 413.54
    2-ethoxyethanol 307.67
    isopentanol 78.1
    n-heptane 19.47
    ethyl formate 180.67
    1,2-dichloroethane 1170.41
    n-hexanol 90.59
    2-methoxyethanol 511.49
    isobutyl acetate 97.51
    tetrachloromethane 105.84
    n-pentyl acetate 66.68
    transcutol 707.12
    n-heptanol 32.51
    ethylbenzene 97.32
    MIBK 125.32
    2-propoxyethanol 238.29
    tert-butanol 173.74
    MTBE 193.9
    2-butoxyethanol 89.87
    propionic acid 198.35
    o-xylene 97.26
    formic acid 32.77
    diethyl ether 405.59
    m-xylene 99.5
    p-xylene 94.46
    chlorobenzene 263.94
    dimethyl carbonate 175.31
    n-octane 8.53
    formamide 99.67
    cyclopentanone 563.21
    2-pentanone 276.19
    anisole 258.4
    cyclopentyl methyl ether 333.52
    gamma-butyrolactone 579.82
    1-methoxy-2-propanol 363.46
    pyridine 671.77
    3-pentanone 277.12
    furfural 412.42
    n-dodecane 7.49
    diethylene glycol 205.64
    diisopropyl ether 64.38
    tert-amyl alcohol 140.41
    acetylacetone 345.65
    n-hexadecane 8.8
    acetophenone 161.33
    methyl propionate 456.94
    isopentyl acetate 114.91
    trichloroethylene 1614.93
    n-nonanol 34.49
    cyclohexanol 144.89
    benzyl alcohol 153.94
    2-ethylhexanol 60.22
    isooctanol 30.32
    dipropyl ether 133.42
    1,2-dichlorobenzene 189.65
    ethyl lactate 91.88
    propylene carbonate 233.87
    n-methylformamide 165.29
    2-pentanol 100.18
    n-pentane 15.16
    1-propoxy-2-propanol 165.1
    1-methoxy-2-propyl acetate 216.35
    2-(2-methoxypropoxy) propanol 118.79
    mesitylene 53.6
    ε-caprolactone 286.0
    p-cymene 44.66
    epichlorohydrin 1169.11
    1,1,1-trichloroethane 612.59
    2-aminoethanol 164.35
    morpholine-4-carbaldehyde 357.03
    sulfolane 550.78
    2,2,4-trimethylpentane 10.52
    2-methyltetrahydrofuran 558.19
    n-hexyl acetate 89.33
    isooctane 8.28
    2-(2-butoxyethoxy)ethanol 168.97
    sec-butyl acetate 113.91
    tert-butyl acetate 159.1
    decalin 24.51
    glycerin 227.96
    diglyme 390.92
    acrylic acid 156.39
    isopropyl myristate 48.98
    n-butyric acid 198.22
    acetyl acetate 236.01
    di(2-ethylhexyl) phthalate 43.25
    ethyl propionate 188.48
    nitromethane 439.57
    1,2-diethoxyethane 256.87
    benzonitrile 157.95
    trioctyl phosphate 28.7
    1-bromopropane 456.96
    gamma-valerolactone 547.91
    n-decanol 28.59
    triethyl phosphate 75.46
    4-methyl-2-pentanol 44.12
    propionitrile 218.69
    vinylene carbonate 214.76
    1,1,2-trichlorotrifluoroethane 473.57
    DMS 154.18
    cumene 52.64
    2-octanol 23.02
    2-hexanone 151.17
    octyl acetate 55.69
    limonene 61.51
    1,2-dimethoxyethane 465.18
    ethyl orthosilicate 68.86
    tributyl phosphate 42.63
    diacetone alcohol 174.56
    N,N-dimethylaniline 109.71
    acrylonitrile 276.24
    aniline 244.96
    1,3-propanediol 203.93
    bromobenzene 320.18
    dibromomethane 1020.87
    1,1,2,2-tetrachloroethane 1225.18
    2-methyl-cyclohexyl acetate 96.33
    tetrabutyl urea 51.9
    diisobutyl methanol 43.85
    2-phenylethanol 121.16
    styrene 139.62
    dioctyl adipate 81.36
    dimethyl sulfate 234.31
    ethyl butyrate 128.01
    methyl lactate 160.47
    butyl lactate 60.91
    diethyl carbonate 114.1
    propanediol butyl ether 84.09
    triethyl orthoformate 94.66
    p-tert-butyltoluene 43.54
    methyl 4-tert-butylbenzoate 103.82
    morpholine 1141.66
    tert-butylamine 87.48
    n-dodecanol 25.08
    dimethoxymethane 485.77
    ethylene carbonate 188.05
    cyrene 112.35
    2-ethoxyethyl acetate 149.31
    2-ethylhexyl acetate 89.57
    1,2,4-trichlorobenzene 244.78
    4-methylpyridine 365.09
    dibutyl ether 83.01
    2,6-dimethyl-4-heptanol 43.85
    DEF 235.51
    dimethyl isosorbide 218.18
    tetrachloroethylene 550.22
    eugenol 95.46
    triacetin 126.87
    span 80 83.79
    1,4-butanediol 74.74
    1,1-dichloroethane 828.4
    2-methyl-1-pentanol 75.83
    methyl formate 149.92
    2-methyl-1-butanol 89.41
    n-decane 11.39
    butyronitrile 162.22
    3,7-dimethyl-1-octanol 42.86
    1-chlorooctane 43.29
    1-chlorotetradecane 21.2
    n-nonane 10.98
    undecane 9.02
    tert-butylcyclohexane 19.72
    cyclooctane 17.71
    cyclopentanol 165.12
    tetrahydropyran 884.9
    tert-amyl methyl ether 138.22
    2,5,8-trioxanonane 261.67
    1-hexene 72.67
    2-isopropoxyethanol 183.67
    2,2,2-trifluoroethanol 61.56
    methyl butyrate 195.46

    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