9,10-Dihydro-2,3,5,7-Phenanthrenetetrol

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  • Identifiers

    CAS number
    22318-82-7

    Molecular formula
    C14H12O4

    SMILES
    C1CC2=C(C3=CC(=C(C=C31)O)O)C(=CC(=C2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 62.69%
    Odorless 54.08%
    Burnt 33.21%
    Smoky 28.83%
    Spicy 26.31%
    Medicinal 26.17%
    Animal 18.6%
    Balsamic 17.57%
    Dry 17.45%
    Woody 17.23%

     

    Flavor
    Bitter 91.12%
    Odorless 22.31%
    Sweet-like 22.2%
    Very strong 21.38%
    Indole 21.2%
    Flat 20.84%
    Cedarleaf 20.84%
    Eugenol 20.67%
    Rotten 20.57%
    Cereal 19.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    12.01 (strong base)

    Molecular weight
    244.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    642°C

    Melting point expt.

    • 291 - 292 °C

    Flash point

    • 264.44 ˚C est.

  • Synonyms

    • 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol
    • 9,10-dihydrophenanthrene-2,3,5,7-tetrol
    • 2,4,6,7-tetrahydroxy-9,10-dihydrophenanthrene
    • SCHEMBL11505126
    • CHEBI:174259
    • DTXSID001279866
    • 22318-82-7
    • 2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene
    • 2,4,6,7-Tetrahydroxy-9-10-dihydrophenanthrene
    • 22318-82-7

  • Applications

    Chemical name: 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol; CAS number: 22318-82-7. This polyphenolic compound is primarily used as an intermediate in organic synthesis for the preparation of polycyclic dyes and pigments, and as a precursor for fine chemicals used in pharmaceuticals. It is also evaluated as a stabilizer and antioxidant in polymer formulations, coatings, and inks, and explored for cosmetic/personal care applications as an antioxidant and skin-conditioning agent. Additionally, it has been studied as a precursor for functional materials in electronics and optoelectronics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.46
    methanol 7.33
    isopropanol 4.34
    water 0.05
    ethyl acetate 6.41
    n-propanol 3.3
    acetone 3.22
    n-butanol 4.29
    acetonitrile 1.06
    DMF 18.97
    toluene 0.53
    isobutanol 2.06
    1,4-dioxane 6.6
    methyl acetate 2.96
    THF 71.87
    2-butanone 4.48
    n-pentanol 3.32
    sec-butanol 2.32
    n-hexane 0.03
    ethylene glycol 7.5
    NMP 17.9
    cyclohexane 0.01
    DMSO 78.84
    n-butyl acetate 8.56
    n-octanol 6.96
    chloroform 0.02
    n-propyl acetate 5.09
    acetic acid 5.33
    dichloromethane 0.02
    cyclohexanone 7.09
    propylene glycol 4.82
    isopropyl acetate 8.31
    DMAc 31.49
    2-ethoxyethanol 24.43
    isopentanol 6.08
    n-heptane 0.17
    ethyl formate 3.03
    1,2-dichloroethane 0.13
    n-hexanol 9.33
    2-methoxyethanol 53.84
    isobutyl acetate 2.53
    tetrachloromethane 0.09
    n-pentyl acetate 9.12
    transcutol 38.42
    n-heptanol 10.2
    ethylbenzene 0.69
    MIBK 9.22
    2-propoxyethanol 44.84
    tert-butanol 13.89
    MTBE 3.25
    2-butoxyethanol 25.42
    propionic acid 3.1
    o-xylene 0.83
    formic acid 9.21
    diethyl ether 2.04
    m-xylene 1.18
    p-xylene 0.61
    chlorobenzene 0.23
    dimethyl carbonate 8.5
    n-octane 0.13
    formamide 21.77
    cyclopentanone 19.64
    2-pentanone 8.74
    anisole 4.1
    cyclopentyl methyl ether 9.24
    gamma-butyrolactone 22.81
    1-methoxy-2-propanol 46.55
    pyridine 2.63
    3-pentanone 3.34
    furfural 13.94
    n-dodecane 0.22
    diethylene glycol 47.55
    diisopropyl ether 1.57
    tert-amyl alcohol 6.05
    acetylacetone 17.84
    n-hexadecane 0.26
    acetophenone 6.0
    methyl propionate 7.32
    isopentyl acetate 8.53
    trichloroethylene 0.3
    n-nonanol 7.54
    cyclohexanol 2.53
    benzyl alcohol 4.69
    2-ethylhexanol 5.67
    isooctanol 7.87
    dipropyl ether 6.15
    1,2-dichlorobenzene 0.51
    ethyl lactate 9.91
    propylene carbonate 7.94
    n-methylformamide 10.46
    2-pentanol 3.61
    n-pentane 0.02
    1-propoxy-2-propanol 29.22
    1-methoxy-2-propyl acetate 23.15
    2-(2-methoxypropoxy) propanol 20.15
    mesitylene 1.01
    ε-caprolactone 9.61
    p-cymene 1.93
    epichlorohydrin 15.82
    1,1,1-trichloroethane 0.18
    2-aminoethanol 9.14
    morpholine-4-carbaldehyde 27.13
    sulfolane 41.88
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 9.77
    n-hexyl acetate 10.39
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 27.72
    sec-butyl acetate 3.93
    tert-butyl acetate 13.84
    decalin 0.09
    glycerin 25.02
    diglyme 43.67
    acrylic acid 3.93
    isopropyl myristate 5.18
    n-butyric acid 6.65
    acetyl acetate 4.4
    di(2-ethylhexyl) phthalate 6.04
    ethyl propionate 6.38
    nitromethane 13.61
    1,2-diethoxyethane 11.6
    benzonitrile 2.36
    trioctyl phosphate 5.81
    1-bromopropane 0.08
    gamma-valerolactone 31.12
    n-decanol 5.67
    triethyl phosphate 6.3
    4-methyl-2-pentanol 4.86
    propionitrile 1.82
    vinylene carbonate 5.16
    1,1,2-trichlorotrifluoroethane 18.2
    DMS 8.27
    cumene 0.84
    2-octanol 6.15
    2-hexanone 5.15
    octyl acetate 6.99
    limonene 2.2
    1,2-dimethoxyethane 31.79
    ethyl orthosilicate 5.98
    tributyl phosphate 4.76
    diacetone alcohol 28.87
    N,N-dimethylaniline 4.03
    acrylonitrile 3.35
    aniline 1.96
    1,3-propanediol 18.95
    bromobenzene 0.15
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.46
    2-methyl-cyclohexyl acetate 6.92
    tetrabutyl urea 8.52
    diisobutyl methanol 4.83
    2-phenylethanol 9.33
    styrene 0.46
    dioctyl adipate 7.2
    dimethyl sulfate 18.25
    ethyl butyrate 7.22
    methyl lactate 16.99
    butyl lactate 10.94
    diethyl carbonate 5.16
    propanediol butyl ether 16.43
    triethyl orthoformate 7.73
    p-tert-butyltoluene 2.16
    methyl 4-tert-butylbenzoate 14.58
    morpholine 12.51
    tert-butylamine 2.92
    n-dodecanol 4.02
    dimethoxymethane 34.06
    ethylene carbonate 4.61
    cyrene 19.54
    2-ethoxyethyl acetate 13.54
    2-ethylhexyl acetate 5.73
    1,2,4-trichlorobenzene 0.9
    4-methylpyridine 2.59
    dibutyl ether 4.47
    2,6-dimethyl-4-heptanol 4.83
    DEF 9.33
    dimethyl isosorbide 33.35
    tetrachloroethylene 0.54
    eugenol 15.86
    triacetin 11.11
    span 80 14.14
    1,4-butanediol 4.8
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 3.71
    methyl formate 7.12
    2-methyl-1-butanol 3.33
    n-decane 0.34
    butyronitrile 2.19
    3,7-dimethyl-1-octanol 5.75
    1-chlorooctane 1.62
    1-chlorotetradecane 0.76
    n-nonane 0.22
    undecane 0.27
    tert-butylcyclohexane 0.13
    cyclooctane 0.03
    cyclopentanol 3.56
    tetrahydropyran 2.7
    tert-amyl methyl ether 3.62
    2,5,8-trioxanonane 33.56
    1-hexene 0.16
    2-isopropoxyethanol 16.38
    2,2,2-trifluoroethanol 3.82
    methyl butyrate 6.92

    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