1,6-Diphenylhexa-1,5-diene-3,4-diol

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  • Identifiers

    CAS number
    4403-20-7

    Molecular formula
    C18H18O2

    SMILES
    C1=CC=C(C=C1)C=CC(C(C=CC2=CC=CC=C2)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 63.73%
    Sweet 62.71%
    Spicy 61.49%
    Cinnamon 44.96%
    Fruity 44.65%
    Floral 37.15%
    Rose 30.45%
    Honey 30.45%
    Herbal 29.34%
    Bitter 27.91%

     

    Flavor
    Bitter 49.47%
    Sweet 48.64%
    Balsam 35.16%
    Green 30.84%
    Honey 24.63%
    Floral 22.91%
    Fruity 21.76%
    Cocoa 21.64%
    Cinnamic 20.75%
    Butyric 20.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.65 (neutral)

    Molecular weight
    266.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    525°C

    Flash point

    • 215.93 ˚C est.

  • Synonyms

    • 1,6-Diphenylhexa-1,5-diene-3,4-diol
    • 4403-20-7
    • EINECS 224-541-9
    • NSC 222804
    • RefChem:221565
    • 224-541-9
    • Hydrocinnamoin
    • SCHEMBL7898790
    • AVIIWHKOUNFPIY-UHFFFAOYSA-N
    • AKOS024323031
    • FH70547
    • NS00047870
    • 4403-20-7

  • Applications

    1,6-Diphenylhexa-1,5-diene-3,4-diol (CAS 4403-20-7) is used primarily as an organic synthesis intermediate and as a reactive diol building block for specialty polymers. It can function as a crosslinking/chain-extending component in polyurethane and epoxy resin systems, aiding network formation and mechanical/chemical resistance. In coatings and inks formulations, it may serve as a reactive intermediate or resin modifier to tune film formation and adhesion. Its diaryl, conjugated structure also lends itself to derivatization as a starting material for fragrance-related or other fine-chemical intermediates and for exploration in advanced materials for electronics or photonics. Use is subject to formulation needs and regulatory constraints, and handling should follow appropriate safety guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.9
    methanol 11.59
    isopropanol 4.02
    water 0.12
    ethyl acetate 43.56
    n-propanol 6.61
    acetone 40.4
    n-butanol 6.16
    acetonitrile 17.94
    DMF 71.16
    toluene 21.52
    isobutanol 4.11
    1,4-dioxane 54.56
    methyl acetate 40.05
    THF 233.95
    2-butanone 40.47
    n-pentanol 6.87
    sec-butanol 5.89
    n-hexane 1.24
    ethylene glycol 3.14
    NMP 46.6
    cyclohexane 1.75
    DMSO 167.81
    n-butyl acetate 19.59
    n-octanol 4.9
    chloroform 66.41
    n-propyl acetate 22.17
    acetic acid 24.41
    dichloromethane 78.18
    cyclohexanone 43.82
    propylene glycol 6.61
    isopropyl acetate 28.19
    DMAc 132.08
    2-ethoxyethanol 24.19
    isopentanol 7.24
    n-heptane 2.83
    ethyl formate 18.56
    1,2-dichloroethane 78.91
    n-hexanol 8.39
    2-methoxyethanol 31.52
    isobutyl acetate 13.51
    tetrachloromethane 5.22
    n-pentyl acetate 13.95
    transcutol 154.37
    n-heptanol 6.46
    ethylbenzene 12.56
    MIBK 24.21
    2-propoxyethanol 25.15
    tert-butanol 9.43
    MTBE 17.3
    2-butoxyethanol 19.33
    propionic acid 17.93
    o-xylene 14.56
    formic acid 9.35
    diethyl ether 23.33
    m-xylene 12.55
    p-xylene 11.04
    chlorobenzene 21.75
    dimethyl carbonate 34.63
    n-octane 1.15
    formamide 32.44
    cyclopentanone 103.21
    2-pentanone 32.09
    anisole 33.87
    cyclopentyl methyl ether 40.69
    gamma-butyrolactone 122.91
    1-methoxy-2-propanol 27.28
    pyridine 64.19
    3-pentanone 33.33
    furfural 80.13
    n-dodecane 0.83
    diethylene glycol 18.42
    diisopropyl ether 8.43
    tert-amyl alcohol 10.35
    acetylacetone 72.39
    n-hexadecane 0.93
    acetophenone 31.84
    methyl propionate 42.02
    isopentyl acetate 20.24
    trichloroethylene 152.63
    n-nonanol 6.08
    cyclohexanol 7.07
    benzyl alcohol 17.07
    2-ethylhexanol 8.66
    isooctanol 6.84
    dipropyl ether 26.76
    1,2-dichlorobenzene 25.88
    ethyl lactate 15.46
    propylene carbonate 52.51
    n-methylformamide 25.8
    2-pentanol 5.6
    n-pentane 0.82
    1-propoxy-2-propanol 21.98
    1-methoxy-2-propyl acetate 37.12
    2-(2-methoxypropoxy) propanol 33.86
    mesitylene 8.81
    ε-caprolactone 40.33
    p-cymene 9.3
    epichlorohydrin 161.23
    1,1,1-trichloroethane 32.88
    2-aminoethanol 6.39
    morpholine-4-carbaldehyde 60.65
    sulfolane 135.51
    2,2,4-trimethylpentane 1.66
    2-methyltetrahydrofuran 51.17
    n-hexyl acetate 15.92
    isooctane 1.04
    2-(2-butoxyethoxy)ethanol 39.89
    sec-butyl acetate 17.18
    tert-butyl acetate 33.73
    decalin 2.61
    glycerin 12.77
    diglyme 98.91
    acrylic acid 20.74
    isopropyl myristate 10.33
    n-butyric acid 22.75
    acetyl acetate 31.86
    di(2-ethylhexyl) phthalate 10.34
    ethyl propionate 26.99
    nitromethane 84.09
    1,2-diethoxyethane 41.89
    benzonitrile 18.44
    trioctyl phosphate 6.92
    1-bromopropane 18.91
    gamma-valerolactone 90.51
    n-decanol 4.94
    triethyl phosphate 16.88
    4-methyl-2-pentanol 6.21
    propionitrile 15.35
    vinylene carbonate 43.11
    1,1,2-trichlorotrifluoroethane 74.16
    DMS 28.51
    cumene 8.38
    2-octanol 4.03
    2-hexanone 19.69
    octyl acetate 10.68
    limonene 12.23
    1,2-dimethoxyethane 69.05
    ethyl orthosilicate 17.19
    tributyl phosphate 9.24
    diacetone alcohol 35.34
    N,N-dimethylaniline 23.65
    acrylonitrile 25.24
    aniline 20.13
    1,3-propanediol 8.95
    bromobenzene 22.97
    dibromomethane 35.76
    1,1,2,2-tetrachloroethane 111.07
    2-methyl-cyclohexyl acetate 20.97
    tetrabutyl urea 12.93
    diisobutyl methanol 9.43
    2-phenylethanol 16.86
    styrene 14.65
    dioctyl adipate 19.58
    dimethyl sulfate 64.65
    ethyl butyrate 26.91
    methyl lactate 22.51
    butyl lactate 15.68
    diethyl carbonate 20.5
    propanediol butyl ether 16.17
    triethyl orthoformate 23.23
    p-tert-butyltoluene 9.58
    methyl 4-tert-butylbenzoate 33.08
    morpholine 50.29
    tert-butylamine 5.97
    n-dodecanol 4.18
    dimethoxymethane 72.29
    ethylene carbonate 33.31
    cyrene 33.96
    2-ethoxyethyl acetate 29.04
    2-ethylhexyl acetate 15.59
    1,2,4-trichlorobenzene 35.0
    4-methylpyridine 34.02
    dibutyl ether 13.87
    2,6-dimethyl-4-heptanol 9.43
    DEF 37.34
    dimethyl isosorbide 73.04
    tetrachloroethylene 57.54
    eugenol 27.01
    triacetin 32.09
    span 80 22.57
    1,4-butanediol 4.16
    1,1-dichloroethane 29.44
    2-methyl-1-pentanol 8.52
    methyl formate 27.41
    2-methyl-1-butanol 6.67
    n-decane 1.38
    butyronitrile 12.32
    3,7-dimethyl-1-octanol 7.52
    1-chlorooctane 5.45
    1-chlorotetradecane 2.71
    n-nonane 1.18
    undecane 1.02
    tert-butylcyclohexane 2.36
    cyclooctane 1.14
    cyclopentanol 9.81
    tetrahydropyran 40.76
    tert-amyl methyl ether 18.7
    2,5,8-trioxanonane 69.76
    1-hexene 5.66
    2-isopropoxyethanol 18.99
    2,2,2-trifluoroethanol 12.68
    methyl butyrate 29.44

    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