3'-Hydroxy-5,5'-dimethoxy-3,4-methylenedioxybiphenyl

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  • Identifiers

    CAS number
    136051-65-5

    Molecular formula
    C15H14O5

    SMILES
    COC1=CC(=CC2=C1OCO2)C3=C(C=C(C=C3)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 60.9%
    Spicy 58.67%
    Sweet 47.5%
    Vanilla 42.24%
    Smoky 37.0%
    Balsamic 34.3%
    Powdery 33.78%
    Woody 33.21%
    Floral 28.1%
    Clove 26.39%

     

    Flavor
    Bitter 85.87%
    Parsley 21.8%
    Bland 21.54%
    Eugenol 21.2%
    Cedarleaf 20.18%
    Sweet-like 19.36%
    Lovage 19.34%
    Carrot 19.02%
    Ripe apricot 19.01%
    Indole 18.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.45 (neutral)

    Molecular weight
    274.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    449°C

    Flash point

    • 175.31 ˚C est.

  • Synonyms

    • 3'-Hdmdb
    • 136051-65-5
    • 3'-Hydroxy-5,5'-dimethoxy-3,4-methylenedioxybiphenyl
    • RefChem:90422
    • 3-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)phenol
    • 3/'-Hydroxy-5,5/'-dimethoxy-3,4-methylenedioxybiphenyl
    • DTXSID20929244
    • 3-Methoxy-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)phenol
    • Phenol, 3-methoxy-5-(7-methoxy-1,3-benzodioxol-5-yl)-
    • 136051-65-5

  • Applications

    3'-Hydroxy-5,5'-dimethoxy-3,4-methylenedioxybiphenyl, CAS 136051-65-5, is primarily regarded as an organic synthesis intermediate and building block for fine chemicals and pharmaceuticals. Due to its methylenedioxy and methoxy substituents, it is commonly evaluated for fragrance and flavor applications as an aromatic building block in aroma-chemical formulations. It may also be used in cosmetics and personal care as a fragrance-related intermediate, and could be explored as a dye/pigment precursor in coatings and inks. Additionally, it has potential as a basic component in polymer or specialty material research and development, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.26
    methanol 10.92
    isopropanol 10.31
    water 0.12
    ethyl acetate 29.84
    n-propanol 9.36
    acetone 48.25
    n-butanol 8.68
    acetonitrile 42.78
    DMF 114.02
    toluene 2.5
    isobutanol 8.0
    1,4-dioxane 48.97
    methyl acetate 40.02
    THF 85.22
    2-butanone 32.84
    n-pentanol 8.73
    sec-butanol 9.97
    n-hexane 0.27
    ethylene glycol 24.34
    NMP 73.42
    cyclohexane 0.62
    DMSO 261.27
    n-butyl acetate 22.73
    n-octanol 9.7
    chloroform 50.76
    n-propyl acetate 28.17
    acetic acid 55.7
    dichloromethane 53.2
    cyclohexanone 42.45
    propylene glycol 16.65
    isopropyl acetate 22.37
    DMAc 135.91
    2-ethoxyethanol 55.79
    isopentanol 11.55
    n-heptane 0.74
    ethyl formate 23.52
    1,2-dichloroethane 40.12
    n-hexanol 11.43
    2-methoxyethanol 85.07
    isobutyl acetate 20.14
    tetrachloromethane 5.34
    n-pentyl acetate 15.34
    transcutol 123.88
    n-heptanol 9.58
    ethylbenzene 3.19
    MIBK 21.68
    2-propoxyethanol 56.7
    tert-butanol 22.28
    MTBE 13.11
    2-butoxyethanol 32.46
    propionic acid 26.78
    o-xylene 4.0
    formic acid 36.51
    diethyl ether 11.89
    m-xylene 3.3
    p-xylene 5.28
    chlorobenzene 9.52
    dimethyl carbonate 41.11
    n-octane 0.58
    formamide 77.81
    cyclopentanone 61.96
    2-pentanone 24.56
    anisole 19.41
    cyclopentyl methyl ether 21.97
    gamma-butyrolactone 75.64
    1-methoxy-2-propanol 60.27
    pyridine 24.57
    3-pentanone 21.17
    furfural 70.17
    n-dodecane 0.92
    diethylene glycol 83.79
    diisopropyl ether 5.12
    tert-amyl alcohol 16.82
    acetylacetone 55.92
    n-hexadecane 1.06
    acetophenone 28.29
    methyl propionate 33.95
    isopentyl acetate 24.25
    trichloroethylene 73.01
    n-nonanol 10.57
    cyclohexanol 12.98
    benzyl alcohol 19.36
    2-ethylhexanol 10.31
    isooctanol 9.61
    dipropyl ether 12.04
    1,2-dichlorobenzene 15.32
    ethyl lactate 31.29
    propylene carbonate 40.65
    n-methylformamide 47.3
    2-pentanol 7.43
    n-pentane 0.24
    1-propoxy-2-propanol 40.31
    1-methoxy-2-propyl acetate 45.78
    2-(2-methoxypropoxy) propanol 48.48
    mesitylene 3.05
    ε-caprolactone 38.91
    p-cymene 6.2
    epichlorohydrin 93.29
    1,1,1-trichloroethane 24.57
    2-aminoethanol 19.96
    morpholine-4-carbaldehyde 97.24
    sulfolane 113.93
    2,2,4-trimethylpentane 0.53
    2-methyltetrahydrofuran 31.41
    n-hexyl acetate 20.53
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 50.55
    sec-butyl acetate 18.97
    tert-butyl acetate 27.65
    decalin 0.83
    glycerin 59.53
    diglyme 93.86
    acrylic acid 35.33
    isopropyl myristate 12.64
    n-butyric acid 24.5
    acetyl acetate 31.4
    di(2-ethylhexyl) phthalate 15.78
    ethyl propionate 25.27
    nitromethane 148.3
    1,2-diethoxyethane 32.87
    benzonitrile 21.21
    trioctyl phosphate 12.03
    1-bromopropane 9.64
    gamma-valerolactone 83.44
    n-decanol 8.64
    triethyl phosphate 22.16
    4-methyl-2-pentanol 7.67
    propionitrile 25.38
    vinylene carbonate 39.76
    1,1,2-trichlorotrifluoroethane 101.09
    DMS 36.29
    cumene 3.91
    2-octanol 6.91
    2-hexanone 25.08
    octyl acetate 15.07
    limonene 7.66
    1,2-dimethoxyethane 79.56
    ethyl orthosilicate 18.79
    tributyl phosphate 15.2
    diacetone alcohol 45.46
    N,N-dimethylaniline 15.63
    acrylonitrile 41.89
    aniline 11.26
    1,3-propanediol 28.91
    bromobenzene 8.48
    dibromomethane 25.08
    1,1,2,2-tetrachloroethane 57.42
    2-methyl-cyclohexyl acetate 24.03
    tetrabutyl urea 22.0
    diisobutyl methanol 8.47
    2-phenylethanol 21.46
    styrene 3.78
    dioctyl adipate 22.11
    dimethyl sulfate 83.87
    ethyl butyrate 23.64
    methyl lactate 45.63
    butyl lactate 21.21
    diethyl carbonate 23.22
    propanediol butyl ether 27.94
    triethyl orthoformate 23.33
    p-tert-butyltoluene 5.7
    methyl 4-tert-butylbenzoate 31.76
    morpholine 52.89
    tert-butylamine 8.0
    n-dodecanol 7.16
    dimethoxymethane 78.36
    ethylene carbonate 34.57
    cyrene 50.58
    2-ethoxyethyl acetate 30.94
    2-ethylhexyl acetate 18.8
    1,2,4-trichlorobenzene 20.68
    4-methylpyridine 19.47
    dibutyl ether 11.36
    2,6-dimethyl-4-heptanol 8.47
    DEF 38.82
    dimethyl isosorbide 71.36
    tetrachloroethylene 33.44
    eugenol 34.04
    triacetin 39.02
    span 80 28.44
    1,4-butanediol 15.06
    1,1-dichloroethane 23.51
    2-methyl-1-pentanol 10.98
    methyl formate 45.64
    2-methyl-1-butanol 9.41
    n-decane 1.32
    butyronitrile 17.21
    3,7-dimethyl-1-octanol 11.44
    1-chlorooctane 6.23
    1-chlorotetradecane 3.37
    n-nonane 1.04
    undecane 1.09
    tert-butylcyclohexane 0.71
    cyclooctane 0.32
    cyclopentanol 16.34
    tetrahydropyran 20.53
    tert-amyl methyl ether 12.59
    2,5,8-trioxanonane 77.54
    1-hexene 1.35
    2-isopropoxyethanol 40.23
    2,2,2-trifluoroethanol 43.94
    methyl butyrate 30.21

    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