2,6-Dimethoxyphenanthren-4-ol

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  • Identifiers

    CAS number
    55806-42-3

    Molecular formula
    C16H14O3

    SMILES
    COC1=CC2=C(C=CC3=CC(=CC(=C32)O)OC)C=C1

    Safety labels

  • Odor profile

    Fragrance
    Sweet 65.36%
    Fruity 56.59%
    Phenolic 54.38%
    Floral 53.11%
    Powdery 42.41%
    Vanilla 36.18%
    Spicy 35.71%
    Woody 32.74%
    Animal 32.14%
    Balsamic 30.81%

     

    Flavor
    Bitter 87.04%
    Very strong 21.19%
    Indole 21.07%
    Parsley 20.76%
    Eugenol 20.21%
    Flat 20.02%
    Cedarleaf 19.94%
    Lovage 19.81%
    Ripe apricot 19.45%
    Tarragon 19.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.0 (weak base)

    Molecular weight
    254.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    471°C

    Flash point

    • 213.86 ˚C est.

  • Synonyms

    • 2,6-dimethoxyphenanthren-4-ol
    • 2,6-Dimethoxy-4-phenanthrenol
    • 55806-42-3
    • CHEBI:174354
    • 4-Phenanthrenol, 2,6-dimethoxy-
    • DTXSID201303778
    • 3,7-Dimethoxy-5-hydroxyphenanthrene
    • 4-Hydroxy-2,6-dimethoxyphenanthrene
    • 55806-42-3

  • Applications

    2,6-Dimethoxyphenanthren-4-ol (CAS number: 55806-42-3) is primarily used as a chemical building block in organic synthesis, serving as an intermediate for the preparation of more complex pharmaceutical and agrochemical molecules. It is also employed as a precursor in the development of aromatic materials, including dyes and pigments, as well as in the synthesis of small-molecule organic electronic components such as semiconductors and related OLED materials. In polymers and coatings, it can function as a functionalized aromatic reagent to introduce methoxy and phenolic functionality into advanced polymers or as a scaffold for crosslinking chemistry. The compound is often evaluated in research and development settings for materials science and formulation work, with actual use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.63
    methanol 11.92
    isopropanol 6.95
    water 0.03
    ethyl acetate 31.59
    n-propanol 12.24
    acetone 24.6
    n-butanol 8.14
    acetonitrile 13.04
    DMF 64.34
    toluene 6.82
    isobutanol 6.78
    1,4-dioxane 103.06
    methyl acetate 35.53
    THF 125.18
    2-butanone 24.86
    n-pentanol 7.75
    sec-butanol 5.68
    n-hexane 0.37
    ethylene glycol 13.49
    NMP 43.58
    cyclohexane 0.9
    DMSO 125.18
    n-butyl acetate 22.55
    n-octanol 5.49
    chloroform 67.58
    n-propyl acetate 26.55
    acetic acid 29.06
    dichloromethane 66.02
    cyclohexanone 39.55
    propylene glycol 9.2
    isopropyl acetate 21.55
    DMAc 85.86
    2-ethoxyethanol 42.27
    isopentanol 8.31
    n-heptane 0.9
    ethyl formate 15.29
    1,2-dichloroethane 63.95
    n-hexanol 10.55
    2-methoxyethanol 67.63
    isobutyl acetate 22.62
    tetrachloromethane 5.02
    n-pentyl acetate 14.76
    transcutol 116.03
    n-heptanol 7.21
    ethylbenzene 7.15
    MIBK 17.31
    2-propoxyethanol 48.3
    tert-butanol 16.42
    MTBE 12.92
    2-butoxyethanol 23.71
    propionic acid 19.39
    o-xylene 6.6
    formic acid 13.72
    diethyl ether 19.41
    m-xylene 5.88
    p-xylene 9.33
    chlorobenzene 13.31
    dimethyl carbonate 35.38
    n-octane 0.64
    formamide 34.83
    cyclopentanone 56.73
    2-pentanone 17.08
    anisole 27.31
    cyclopentyl methyl ether 28.32
    gamma-butyrolactone 77.25
    1-methoxy-2-propanol 38.5
    pyridine 43.26
    3-pentanone 19.19
    furfural 64.09
    n-dodecane 0.78
    diethylene glycol 57.29
    diisopropyl ether 6.66
    tert-amyl alcohol 9.99
    acetylacetone 42.86
    n-hexadecane 0.92
    acetophenone 28.16
    methyl propionate 31.32
    isopentyl acetate 24.99
    trichloroethylene 97.57
    n-nonanol 6.63
    cyclohexanol 9.46
    benzyl alcohol 18.37
    2-ethylhexanol 9.13
    isooctanol 7.44
    dipropyl ether 17.29
    1,2-dichlorobenzene 17.6
    ethyl lactate 17.76
    propylene carbonate 34.79
    n-methylformamide 26.79
    2-pentanol 4.66
    n-pentane 0.25
    1-propoxy-2-propanol 27.64
    1-methoxy-2-propyl acetate 43.2
    2-(2-methoxypropoxy) propanol 30.43
    mesitylene 4.71
    ε-caprolactone 38.87
    p-cymene 7.74
    epichlorohydrin 109.37
    1,1,1-trichloroethane 27.9
    2-aminoethanol 17.19
    morpholine-4-carbaldehyde 79.32
    sulfolane 89.4
    2,2,4-trimethylpentane 0.57
    2-methyltetrahydrofuran 40.24
    n-hexyl acetate 16.05
    isooctane 0.46
    2-(2-butoxyethoxy)ethanol 35.97
    sec-butyl acetate 21.43
    tert-butyl acetate 28.74
    decalin 1.51
    glycerin 29.04
    diglyme 84.2
    acrylic acid 24.49
    isopropyl myristate 10.11
    n-butyric acid 19.51
    acetyl acetate 28.81
    di(2-ethylhexyl) phthalate 11.79
    ethyl propionate 25.84
    nitromethane 72.58
    1,2-diethoxyethane 39.5
    benzonitrile 17.38
    trioctyl phosphate 8.22
    1-bromopropane 14.4
    gamma-valerolactone 86.03
    n-decanol 5.7
    triethyl phosphate 21.97
    4-methyl-2-pentanol 5.42
    propionitrile 14.8
    vinylene carbonate 35.03
    1,1,2-trichlorotrifluoroethane 78.64
    DMS 36.14
    cumene 6.75
    2-octanol 4.5
    2-hexanone 20.75
    octyl acetate 11.04
    limonene 8.67
    1,2-dimethoxyethane 79.59
    ethyl orthosilicate 20.1
    tributyl phosphate 10.75
    diacetone alcohol 32.76
    N,N-dimethylaniline 19.42
    acrylonitrile 23.96
    aniline 15.11
    1,3-propanediol 24.47
    bromobenzene 13.35
    dibromomethane 33.38
    1,1,2,2-tetrachloroethane 73.43
    2-methyl-cyclohexyl acetate 24.78
    tetrabutyl urea 14.62
    diisobutyl methanol 8.12
    2-phenylethanol 21.77
    styrene 7.86
    dioctyl adipate 17.66
    dimethyl sulfate 60.96
    ethyl butyrate 24.22
    methyl lactate 23.49
    butyl lactate 13.9
    diethyl carbonate 24.56
    propanediol butyl ether 15.21
    triethyl orthoformate 25.39
    p-tert-butyltoluene 7.35
    methyl 4-tert-butylbenzoate 26.44
    morpholine 88.35
    tert-butylamine 6.36
    n-dodecanol 4.88
    dimethoxymethane 76.96
    ethylene carbonate 29.54
    cyrene 34.63
    2-ethoxyethyl acetate 32.56
    2-ethylhexyl acetate 20.08
    1,2,4-trichlorobenzene 24.33
    4-methylpyridine 24.01
    dibutyl ether 11.07
    2,6-dimethyl-4-heptanol 8.12
    DEF 27.77
    dimethyl isosorbide 61.07
    tetrachloroethylene 46.85
    eugenol 27.66
    triacetin 29.57
    span 80 19.67
    1,4-butanediol 7.51
    1,1-dichloroethane 21.58
    2-methyl-1-pentanol 8.69
    methyl formate 25.5
    2-methyl-1-butanol 6.79
    n-decane 1.14
    butyronitrile 9.32
    3,7-dimethyl-1-octanol 7.73
    1-chlorooctane 4.86
    1-chlorotetradecane 2.87
    n-nonane 0.89
    undecane 0.93
    tert-butylcyclohexane 1.41
    cyclooctane 0.44
    cyclopentanol 11.35
    tetrahydropyran 41.23
    tert-amyl methyl ether 11.14
    2,5,8-trioxanonane 63.02
    1-hexene 2.68
    2-isopropoxyethanol 29.43
    2,2,2-trifluoroethanol 17.82
    methyl butyrate 26.63

    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