8-Hydroxysubspinosin

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  • Identifiers

    CAS number
    80557-10-4

    Molecular formula
    C18H16O6

    SMILES
    CCOCC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=CC=C3O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 52.57%
    Vanilla 51.04%
    Phenolic 43.32%
    Odorless 36.86%
    Spicy 36.04%
    Balsamic 34.68%
    Powdery 34.38%
    Creamy 31.17%
    Floral 27.77%
    Burnt 27.04%

     

    Flavor
    Bitter 89.31%
    Bland 24.79%
    Odorless 23.96%
    Parsley 20.46%
    Sweet-like 20.34%
    Lovage 20.02%
    Cedarleaf 19.69%
    Eugenol 18.63%
    Ripe apricot 18.56%
    Ethyl benzoate 18.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.47 (neutral)

    Molecular weight
    328.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    707°C

    Flash point

    • 254.0 ˚C est.

  • Synonyms

    • 8-Hydroxysubspinosin
    • 2,8-Dihydroxy-3-ethoxymethyl-1-methoxyanthraquinone
    • 80557-10-4
    • 9,10-Anthracenedione, 3-(ethoxymethyl)-2,8-dihydroxy-1-methoxy-
    • RefChem:107204
    • DTXSID501001317
    • 3-(ethoxymethyl)-2,8-dihydroxy-1-methoxyanthracene-9,10-dione
    • 3,5-dihydroxy-2-ethoxymethyl-4-methoxyanthraquinone
    • 80557-10-4

  • Applications

    8-Hydroxysubspinosin (CAS 80557-10-4) is a flavonoid glycoside that is primarily considered as an intermediate in the synthesis of flavonoid derivatives and related bioactive compounds. In cosmetics and personal care, it is evaluated as a natural antioxidant and has potential as an ingredient in skin-care formulations. In pharmaceutical contexts, it is viewed as a lead scaffold for flavonoid-based derivatives and may be studied as a bioactive agent or synthetic intermediate. Given its relation to natural fragrance chemistry, it may serve as a fragrance precursor or related material in the aroma industry. Additionally, it is of interest as a research compound in plant science and agriculture to explore flavonoid biology and activities.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.2
    methanol 1.3
    isopropanol 1.15
    water 0.02
    ethyl acetate 8.69
    n-propanol 1.59
    acetone 6.93
    n-butanol 1.59
    acetonitrile 5.15
    DMF 35.12
    toluene 1.76
    isobutanol 1.37
    1,4-dioxane 8.36
    methyl acetate 11.42
    THF 19.82
    2-butanone 9.61
    n-pentanol 1.36
    sec-butanol 1.35
    n-hexane 0.06
    ethylene glycol 1.96
    NMP 68.84
    cyclohexane 0.14
    DMSO 37.47
    n-butyl acetate 8.5
    n-octanol 1.28
    chloroform 16.31
    n-propyl acetate 7.87
    acetic acid 16.01
    dichloromethane 17.18
    cyclohexanone 20.31
    propylene glycol 1.36
    isopropyl acetate 7.24
    DMAc 75.37
    2-ethoxyethanol 7.76
    isopentanol 2.38
    n-heptane 0.07
    ethyl formate 4.8
    1,2-dichloroethane 13.96
    n-hexanol 2.1
    2-methoxyethanol 13.87
    isobutyl acetate 4.83
    tetrachloromethane 1.96
    n-pentyl acetate 5.31
    transcutol 18.13
    n-heptanol 1.98
    ethylbenzene 1.78
    MIBK 5.99
    2-propoxyethanol 14.7
    tert-butanol 2.82
    MTBE 2.42
    2-butoxyethanol 8.92
    propionic acid 7.42
    o-xylene 2.21
    formic acid 7.98
    diethyl ether 2.15
    m-xylene 1.63
    p-xylene 2.26
    chlorobenzene 3.61
    dimethyl carbonate 17.95
    n-octane 0.05
    formamide 16.58
    cyclopentanone 28.16
    2-pentanone 6.65
    anisole 6.16
    cyclopentyl methyl ether 7.22
    gamma-butyrolactone 37.36
    1-methoxy-2-propanol 10.29
    pyridine 12.68
    3-pentanone 7.78
    furfural 31.39
    n-dodecane 0.08
    diethylene glycol 16.21
    diisopropyl ether 0.94
    tert-amyl alcohol 2.93
    acetylacetone 15.18
    n-hexadecane 0.09
    acetophenone 11.47
    methyl propionate 13.2
    isopentyl acetate 9.05
    trichloroethylene 34.57
    n-nonanol 1.69
    cyclohexanol 3.33
    benzyl alcohol 6.43
    2-ethylhexanol 2.45
    isooctanol 2.01
    dipropyl ether 2.7
    1,2-dichlorobenzene 5.85
    ethyl lactate 8.15
    propylene carbonate 16.57
    n-methylformamide 11.43
    2-pentanol 1.24
    n-pentane 0.05
    1-propoxy-2-propanol 9.29
    1-methoxy-2-propyl acetate 17.8
    2-(2-methoxypropoxy) propanol 12.53
    mesitylene 1.12
    ε-caprolactone 20.48
    p-cymene 2.2
    epichlorohydrin 32.25
    1,1,1-trichloroethane 8.79
    2-aminoethanol 2.32
    morpholine-4-carbaldehyde 45.67
    sulfolane 64.26
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 8.8
    n-hexyl acetate 5.52
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 11.54
    sec-butyl acetate 6.4
    tert-butyl acetate 9.93
    decalin 0.24
    glycerin 7.6
    diglyme 25.75
    acrylic acid 11.59
    isopropyl myristate 3.02
    n-butyric acid 8.06
    acetyl acetate 10.45
    di(2-ethylhexyl) phthalate 4.86
    ethyl propionate 9.83
    nitromethane 36.99
    1,2-diethoxyethane 6.23
    benzonitrile 6.82
    trioctyl phosphate 3.52
    1-bromopropane 3.18
    gamma-valerolactone 37.57
    n-decanol 1.3
    triethyl phosphate 8.86
    4-methyl-2-pentanol 1.5
    propionitrile 5.3
    vinylene carbonate 17.0
    1,1,2-trichlorotrifluoroethane 43.26
    DMS 15.68
    cumene 1.56
    2-octanol 1.17
    2-hexanone 6.35
    octyl acetate 3.69
    limonene 2.59
    1,2-dimethoxyethane 17.18
    ethyl orthosilicate 7.33
    tributyl phosphate 4.39
    diacetone alcohol 14.86
    N,N-dimethylaniline 6.17
    acrylonitrile 10.41
    aniline 5.35
    1,3-propanediol 4.28
    bromobenzene 3.49
    dibromomethane 7.87
    1,1,2,2-tetrachloroethane 23.77
    2-methyl-cyclohexyl acetate 9.25
    tetrabutyl urea 7.31
    diisobutyl methanol 1.96
    2-phenylethanol 8.19
    styrene 1.95
    dioctyl adipate 6.29
    dimethyl sulfate 41.71
    ethyl butyrate 8.19
    methyl lactate 13.37
    butyl lactate 6.31
    diethyl carbonate 7.84
    propanediol butyl ether 5.38
    triethyl orthoformate 7.9
    p-tert-butyltoluene 1.9
    methyl 4-tert-butylbenzoate 12.36
    morpholine 12.22
    tert-butylamine 1.19
    n-dodecanol 0.99
    dimethoxymethane 17.93
    ethylene carbonate 13.12
    cyrene 19.85
    2-ethoxyethyl acetate 10.32
    2-ethylhexyl acetate 7.47
    1,2,4-trichlorobenzene 9.43
    4-methylpyridine 10.32
    dibutyl ether 1.88
    2,6-dimethyl-4-heptanol 1.96
    DEF 17.47
    dimethyl isosorbide 26.93
    tetrachloroethylene 15.71
    eugenol 12.7
    triacetin 12.19
    span 80 7.77
    1,4-butanediol 1.67
    1,1-dichloroethane 6.63
    2-methyl-1-pentanol 2.32
    methyl formate 9.92
    2-methyl-1-butanol 2.13
    n-decane 0.11
    butyronitrile 3.34
    3,7-dimethyl-1-octanol 1.87
    1-chlorooctane 0.87
    1-chlorotetradecane 0.47
    n-nonane 0.08
    undecane 0.09
    tert-butylcyclohexane 0.17
    cyclooctane 0.06
    cyclopentanol 3.79
    tetrahydropyran 5.29
    tert-amyl methyl ether 3.32
    2,5,8-trioxanonane 20.26
    1-hexene 0.4
    2-isopropoxyethanol 6.51
    2,2,2-trifluoroethanol 11.39
    methyl butyrate 10.88

    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