9,10-Dihydro-6,8-bis(3-methyl-2-buten-1-yl)-2,3,5,7-phenanthrenetetrol

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  • Identifiers

    CAS number
    134958-56-8

    Molecular formula
    C24H28O4

    SMILES
    CC(=CCC1=C2CCC3=CC(=C(C=C3C2=C(C(=C1O)CC=C(C)C)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 49.81%
    Spicy 45.69%
    Woody 33.91%
    Smoky 30.09%
    Burnt 29.1%
    Fruity 26.86%
    Dry 26.21%
    Odorless 25.21%
    Balsamic 24.1%
    Medicinal 22.43%

     

    Flavor
    Bitter 76.49%
    Cedarleaf 20.16%
    Parsley 20.07%
    Lovage 19.54%
    Thymol 19.19%
    Eugenol 19.14%
    Oriental 18.92%
    Flat 18.86%
    Nitrile 18.84%
    Diterpene 18.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    10.31 (weak base)

    Molecular weight
    380.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1115°C

    Melting point expt.

    • 72 - 74 °C

    Flash point

    • 258.7 ˚C est.

  • Synonyms

    • Gancaonin U
    • 134958-56-8
    • PLL5JDG3P4
    • DTXSID90159157
    • 6,8-bis(3-methylbut-2-en-1-yl)-9,10-dihydrophenanthrene-2,3,5,7-tetrol
    • 9,10-Dihydro-6,8-bis(3-methyl-2-buten-1-yl)-2,3,5,7-phenanthrenetetrol
    • RefChem:1074814
    • DTXCID4081648
    • 6,8-bis(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,3,5,7-tetrol
    • 8-(3-Methyl-but-2-enyl)-6-((E)-3-methyl-but-2-enyl)-9,10-dihydro-phenanthrene-2,3,5,7-tetraol
    • MLS000697583
    • SMR000470929
    • cid_480818
    • CHEMBL1535695
    • BDBM76198
    • CHEBI:175023
    • 1,3-Diisopentenyl-2,4,6,7-tetrahydroxy-9,10-dihydrophenanthrene
    • 2,3,5,7-Phenanthrenetetrol, 9,10-dihydro-6,8-bis(3-methyl-2-butenyl)-
    • 134958-56-8

  • Applications

    9,10-Dihydro-6,8-bis(3-methyl-2-buten-1-yl)-2,3,5,7-phenanthrenetetrol (CAS 134958-56-8) is primarily used as a synthetic intermediate for complex polycyclic aromatic compounds; it can serve as a building block in materials research and organic electronics; it may be evaluated as a specialty additive for polymers, plastics, and coatings to improve processing and stability; it can act as a dye or pigment intermediate for coatings and inks; and it may be explored as a research material in materials science and early-stage pharmaceutical research, providing a scaffold for SAR studies, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.78
    methanol 9.22
    isopropanol 10.12
    water 0.01
    ethyl acetate 24.21
    n-propanol 14.48
    acetone 26.93
    n-butanol 12.71
    acetonitrile 4.0
    DMF 68.97
    toluene 6.75
    isobutanol 8.47
    1,4-dioxane 44.42
    methyl acetate 20.72
    THF 141.01
    2-butanone 36.09
    n-pentanol 11.29
    sec-butanol 10.85
    n-hexane 0.57
    ethylene glycol 1.69
    NMP 50.11
    cyclohexane 0.45
    DMSO 48.03
    n-butyl acetate 22.73
    n-octanol 9.01
    chloroform 26.44
    n-propyl acetate 15.8
    acetic acid 20.7
    dichloromethane 16.55
    cyclohexanone 40.23
    propylene glycol 6.46
    isopropyl acetate 22.55
    DMAc 117.5
    2-ethoxyethanol 32.15
    isopentanol 11.9
    n-heptane 0.69
    ethyl formate 8.94
    1,2-dichloroethane 15.26
    n-hexanol 14.89
    2-methoxyethanol 56.09
    isobutyl acetate 13.51
    tetrachloromethane 2.17
    n-pentyl acetate 25.81
    transcutol 115.95
    n-heptanol 12.68
    ethylbenzene 5.67
    MIBK 20.65
    2-propoxyethanol 60.77
    tert-butanol 15.82
    MTBE 18.84
    2-butoxyethanol 40.2
    propionic acid 12.71
    o-xylene 5.03
    formic acid 4.96
    diethyl ether 16.69
    m-xylene 5.51
    p-xylene 6.32
    chlorobenzene 7.27
    dimethyl carbonate 20.75
    n-octane 0.51
    formamide 10.94
    cyclopentanone 62.86
    2-pentanone 30.25
    anisole 17.46
    cyclopentyl methyl ether 27.35
    gamma-butyrolactone 52.44
    1-methoxy-2-propanol 58.47
    pyridine 32.04
    3-pentanone 21.66
    furfural 34.0
    n-dodecane 0.42
    diethylene glycol 29.23
    diisopropyl ether 5.52
    tert-amyl alcohol 14.68
    acetylacetone 41.07
    n-hexadecane 0.5
    acetophenone 20.44
    methyl propionate 28.56
    isopentyl acetate 26.97
    trichloroethylene 39.73
    n-nonanol 10.79
    cyclohexanol 9.34
    benzyl alcohol 15.01
    2-ethylhexanol 10.28
    isooctanol 11.55
    dipropyl ether 15.88
    1,2-dichlorobenzene 8.13
    ethyl lactate 13.57
    propylene carbonate 22.11
    n-methylformamide 16.13
    2-pentanol 9.7
    n-pentane 0.42
    1-propoxy-2-propanol 44.8
    1-methoxy-2-propyl acetate 49.92
    2-(2-methoxypropoxy) propanol 36.28
    mesitylene 3.39
    ε-caprolactone 38.55
    p-cymene 5.07
    epichlorohydrin 68.63
    1,1,1-trichloroethane 12.32
    2-aminoethanol 6.7
    morpholine-4-carbaldehyde 72.87
    sulfolane 65.9
    2,2,4-trimethylpentane 0.52
    2-methyltetrahydrofuran 36.38
    n-hexyl acetate 25.15
    isooctane 0.44
    2-(2-butoxyethoxy)ethanol 53.66
    sec-butyl acetate 15.84
    tert-butyl acetate 31.06
    decalin 0.71
    glycerin 13.84
    diglyme 85.93
    acrylic acid 11.3
    isopropyl myristate 10.67
    n-butyric acid 21.3
    acetyl acetate 16.02
    di(2-ethylhexyl) phthalate 13.0
    ethyl propionate 17.87
    nitromethane 35.85
    1,2-diethoxyethane 38.01
    benzonitrile 8.79
    trioctyl phosphate 9.72
    1-bromopropane 7.97
    gamma-valerolactone 97.54
    n-decanol 7.71
    triethyl phosphate 11.18
    4-methyl-2-pentanol 8.15
    propionitrile 6.95
    vinylene carbonate 18.24
    1,1,2-trichlorotrifluoroethane 51.42
    DMS 24.72
    cumene 4.33
    2-octanol 8.91
    2-hexanone 19.69
    octyl acetate 13.88
    limonene 6.02
    1,2-dimethoxyethane 59.37
    ethyl orthosilicate 12.35
    tributyl phosphate 10.12
    diacetone alcohol 41.61
    N,N-dimethylaniline 14.76
    acrylonitrile 9.33
    aniline 13.2
    1,3-propanediol 15.54
    bromobenzene 6.73
    dibromomethane 9.79
    1,1,2,2-tetrachloroethane 34.4
    2-methyl-cyclohexyl acetate 18.27
    tetrabutyl urea 15.51
    diisobutyl methanol 7.72
    2-phenylethanol 21.35
    styrene 5.66
    dioctyl adipate 17.01
    dimethyl sulfate 33.62
    ethyl butyrate 15.75
    methyl lactate 22.64
    butyl lactate 23.11
    diethyl carbonate 10.89
    propanediol butyl ether 29.73
    triethyl orthoformate 16.98
    p-tert-butyltoluene 5.65
    methyl 4-tert-butylbenzoate 30.63
    morpholine 65.76
    tert-butylamine 6.51
    n-dodecanol 5.39
    dimethoxymethane 68.45
    ethylene carbonate 15.14
    cyrene 32.79
    2-ethoxyethyl acetate 41.78
    2-ethylhexyl acetate 19.91
    1,2,4-trichlorobenzene 12.47
    4-methylpyridine 24.34
    dibutyl ether 11.22
    2,6-dimethyl-4-heptanol 7.72
    DEF 34.69
    dimethyl isosorbide 62.42
    tetrachloroethylene 17.15
    eugenol 29.38
    triacetin 28.73
    span 80 29.59
    1,4-butanediol 4.89
    1,1-dichloroethane 11.21
    2-methyl-1-pentanol 12.21
    methyl formate 11.82
    2-methyl-1-butanol 11.01
    n-decane 0.8
    butyronitrile 7.21
    3,7-dimethyl-1-octanol 9.59
    1-chlorooctane 4.26
    1-chlorotetradecane 1.79
    n-nonane 0.63
    undecane 0.55
    tert-butylcyclohexane 0.8
    cyclooctane 0.27
    cyclopentanol 11.49
    tetrahydropyran 31.31
    tert-amyl methyl ether 15.83
    2,5,8-trioxanonane 59.27
    1-hexene 3.37
    2-isopropoxyethanol 25.8
    2,2,2-trifluoroethanol 6.08
    methyl butyrate 19.53

    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