2,4,5,6-Phenanthrenetetrol

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  • Identifiers

    CAS number
    68570-34-3

    Molecular formula
    C14H10O4

    SMILES
    C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 70.14%
    Odorless 49.41%
    Burnt 38.23%
    Medicinal 32.34%
    Smoky 32.24%
    Spicy 26.53%
    Balsamic 19.71%
    Animal 19.41%
    Dry 18.81%
    Woody 17.97%

     

    Flavor
    Bitter 91.35%
    Odorless 21.95%
    Very strong 21.81%
    Sweet-like 21.43%
    Mild 21.39%
    Indole 21.26%
    Flat 20.93%
    Rotten 20.55%
    Eugenol 20.39%
    Nitrile 19.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    11.53 (strong base)

    Molecular weight
    242.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    665°C

    Melting point expt.

    • 220 °C

    Flash point

    • 272.2 ˚C est.

  • Synonyms

    • 2,4,5,6-phenanthrenetetrol
    • phenanthrene-2,4,5,6-tetrol
    • SCHEMBL18940921
    • CHEBI:174250
    • 2,4,5,6-Tetrahydroxyphenanthrene
    • DTXSID401311474
    • 68570-34-3
    • 68570-34-3

  • Applications

    2,4,5,6-Phenanthrenetetrol (CAS 68570-34-3) is primarily used as a synthetic intermediate for the preparation of phenanthrene-based dyes and pigments. Its four hydroxyl groups make it a polyfunctional building block suitable for specialty polymers and coatings, including use as a polyol in polymer formulations and in resin and adhesive systems. The compound is also explored as an antioxidant and stabilizer in polymeric materials and coatings to improve processing stability and durability. Additionally, it may serve as a precursor for the synthesis of advanced materials, such as organic electronic or optoelectronic components, and as a starting point for further functionalization. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.29
    methanol 5.22
    isopropanol 4.72
    water 0.05
    ethyl acetate 2.62
    n-propanol 3.59
    acetone 4.59
    n-butanol 3.8
    acetonitrile 1.23
    DMF 32.92
    toluene 0.44
    isobutanol 1.93
    1,4-dioxane 5.92
    methyl acetate 2.31
    THF 71.93
    2-butanone 4.2
    n-pentanol 3.33
    sec-butanol 2.59
    n-hexane 0.02
    ethylene glycol 9.15
    NMP 17.36
    cyclohexane 0.01
    DMSO 66.01
    n-butyl acetate 5.0
    n-octanol 8.87
    chloroform 0.01
    n-propyl acetate 3.68
    acetic acid 3.68
    dichloromethane 0.01
    cyclohexanone 5.71
    propylene glycol 4.74
    isopropyl acetate 4.4
    DMAc 34.09
    2-ethoxyethanol 18.0
    isopentanol 4.6
    n-heptane 0.16
    ethyl formate 2.05
    1,2-dichloroethane 0.08
    n-hexanol 6.71
    2-methoxyethanol 38.29
    isobutyl acetate 1.75
    tetrachloromethane 0.03
    n-pentyl acetate 7.74
    transcutol 23.77
    n-heptanol 10.34
    ethylbenzene 0.7
    MIBK 5.99
    2-propoxyethanol 29.82
    tert-butanol 11.15
    MTBE 2.71
    2-butoxyethanol 21.51
    propionic acid 2.32
    o-xylene 0.72
    formic acid 5.61
    diethyl ether 1.57
    m-xylene 0.86
    p-xylene 0.57
    chlorobenzene 0.14
    dimethyl carbonate 5.24
    n-octane 0.15
    formamide 16.98
    cyclopentanone 18.48
    2-pentanone 5.38
    anisole 3.72
    cyclopentyl methyl ether 7.44
    gamma-butyrolactone 16.82
    1-methoxy-2-propanol 30.01
    pyridine 3.13
    3-pentanone 2.06
    furfural 9.78
    n-dodecane 0.29
    diethylene glycol 33.45
    diisopropyl ether 1.04
    tert-amyl alcohol 5.91
    acetylacetone 9.65
    n-hexadecane 0.33
    acetophenone 5.22
    methyl propionate 3.93
    isopentyl acetate 5.51
    trichloroethylene 0.13
    n-nonanol 9.54
    cyclohexanol 2.36
    benzyl alcohol 4.26
    2-ethylhexanol 4.56
    isooctanol 7.82
    dipropyl ether 4.76
    1,2-dichlorobenzene 0.3
    ethyl lactate 6.49
    propylene carbonate 5.03
    n-methylformamide 10.53
    2-pentanol 3.0
    n-pentane 0.02
    1-propoxy-2-propanol 20.59
    1-methoxy-2-propyl acetate 13.78
    2-(2-methoxypropoxy) propanol 16.92
    mesitylene 0.74
    ε-caprolactone 6.99
    p-cymene 1.77
    epichlorohydrin 11.14
    1,1,1-trichloroethane 0.06
    2-aminoethanol 9.73
    morpholine-4-carbaldehyde 22.27
    sulfolane 29.6
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 8.41
    n-hexyl acetate 8.84
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 22.37
    sec-butyl acetate 2.58
    tert-butyl acetate 8.01
    decalin 0.07
    glycerin 19.52
    diglyme 31.1
    acrylic acid 3.01
    isopropyl myristate 5.0
    n-butyric acid 3.74
    acetyl acetate 1.99
    di(2-ethylhexyl) phthalate 4.7
    ethyl propionate 3.94
    nitromethane 8.26
    1,2-diethoxyethane 8.55
    benzonitrile 2.24
    trioctyl phosphate 5.12
    1-bromopropane 0.05
    gamma-valerolactone 20.8
    n-decanol 7.24
    triethyl phosphate 4.24
    4-methyl-2-pentanol 3.35
    propionitrile 1.72
    vinylene carbonate 3.21
    1,1,2-trichlorotrifluoroethane 11.24
    DMS 5.51
    cumene 0.79
    2-octanol 7.2
    2-hexanone 4.88
    octyl acetate 6.84
    limonene 1.88
    1,2-dimethoxyethane 24.42
    ethyl orthosilicate 4.06
    tributyl phosphate 3.89
    diacetone alcohol 19.93
    N,N-dimethylaniline 4.22
    acrylonitrile 3.23
    aniline 1.7
    1,3-propanediol 14.58
    bromobenzene 0.08
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.2
    2-methyl-cyclohexyl acetate 4.78
    tetrabutyl urea 7.78
    diisobutyl methanol 4.21
    2-phenylethanol 7.62
    styrene 0.47
    dioctyl adipate 6.32
    dimethyl sulfate 10.41
    ethyl butyrate 4.73
    methyl lactate 10.52
    butyl lactate 7.92
    diethyl carbonate 3.25
    propanediol butyl ether 14.08
    triethyl orthoformate 5.08
    p-tert-butyltoluene 1.87
    methyl 4-tert-butylbenzoate 12.7
    morpholine 11.65
    tert-butylamine 2.96
    n-dodecanol 5.22
    dimethoxymethane 24.95
    ethylene carbonate 2.79
    cyrene 15.78
    2-ethoxyethyl acetate 10.05
    2-ethylhexyl acetate 3.66
    1,2,4-trichlorobenzene 0.54
    4-methylpyridine 2.66
    dibutyl ether 4.85
    2,6-dimethyl-4-heptanol 4.21
    DEF 8.12
    dimethyl isosorbide 24.73
    tetrachloroethylene 0.22
    eugenol 13.76
    triacetin 8.33
    span 80 11.85
    1,4-butanediol 5.13
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 3.2
    methyl formate 5.57
    2-methyl-1-butanol 2.88
    n-decane 0.43
    butyronitrile 1.99
    3,7-dimethyl-1-octanol 5.81
    1-chlorooctane 2.01
    1-chlorotetradecane 1.01
    n-nonane 0.28
    undecane 0.35
    tert-butylcyclohexane 0.1
    cyclooctane 0.03
    cyclopentanol 3.92
    tetrahydropyran 2.92
    tert-amyl methyl ether 3.24
    2,5,8-trioxanonane 27.07
    1-hexene 0.13
    2-isopropoxyethanol 11.7
    2,2,2-trifluoroethanol 2.61
    methyl butyrate 4.66

    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