3,4,4',5,7-Flavanpentol

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  • Identifiers

    CAS number
    520-17-2

    Molecular formula
    C15H14O6

    SMILES
    C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 60.16%
    Odorless 59.42%
    Vanilla 33.34%
    Smoky 29.56%
    Sweet 28.59%
    Medicinal 27.67%
    Burnt 27.37%
    Spicy 25.46%
    Bitter 23.7%
    Balsamic 22.45%

     

    Flavor
    Bitter 85.91%
    Odorless 26.38%
    Sweet-like 24.4%
    Bland 23.85%
    Cedarleaf 20.88%
    Eugenol 20.46%
    Lovage 20.0%
    Indole 19.94%
    Very strong 19.84%
    Parsley 19.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    9.91 (weak base)

    Molecular weight
    290.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    895°C

    Flash point

    • 263.41 ˚C est.

  • Synonyms

    • 520-17-2
    • 3,4,4',5,7-Flavanpentol
    • 2H-Benzopyran-3,4,5,7-tetrol, 3,4-dihydro-2-(4-hydroxyphenyl)-
    • RefChem:270476
    • Leucopelargonidin
    • 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
    • 2-(4-hydroxyphenyl)chromane-3,4,5,7-tetraol
    • orb1942827
    • SCHEMBL18196214
    • DTXSID20966331
    • CHEBI:190342
    • 3,4,5,7,4'-pentahydroxyflavan
    • 2-(4-Hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
    • HY-N11412
    • DA-64927
    • FL158279
    • CS-0643487
    • 2-(4-hydroxyphenyl)chromane-3,4,5,7-tetrol
    • 520-17-2

  • Applications

    3,4,4',5,7-Flavanpentol (CAS 520-17-2) is primarily used as an intermediate in the synthesis of specialty chemicals and as a feedstock for research and development; in cosmetics and personal care, it can function as an antioxidant and formulation stabilizer, helping to protect sensitive ingredients and extend product shelf life; in plastics and polymers, it can be used as an oxidation stabilizer and additive to enhance material durability; in coatings, paints, and inks, it may serve as an antioxidant and light-stabilizing additive; in pharmaceutical and agrochemical R&D, it is often evaluated as a building block for flavonoid derivatives and related specialty compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.1
    methanol 180.73
    isopropanol 48.55
    water 0.8
    ethyl acetate 22.28
    n-propanol 29.24
    acetone 91.79
    n-butanol 30.96
    acetonitrile 22.1
    DMF 333.1
    toluene 0.97
    isobutanol 15.79
    1,4-dioxane 42.13
    methyl acetate 20.36
    THF 349.68
    2-butanone 48.66
    n-pentanol 14.67
    sec-butanol 22.44
    n-hexane 0.06
    ethylene glycol 106.3
    NMP 104.08
    cyclohexane 0.11
    DMSO 1965.14
    n-butyl acetate 8.46
    n-octanol 10.18
    chloroform 0.12
    n-propyl acetate 10.25
    acetic acid 58.97
    dichloromethane 0.09
    cyclohexanone 44.92
    propylene glycol 91.52
    isopropyl acetate 18.18
    DMAc 282.04
    2-ethoxyethanol 161.52
    isopentanol 28.2
    n-heptane 0.31
    ethyl formate 20.97
    1,2-dichloroethane 0.62
    n-hexanol 13.23
    2-methoxyethanol 400.54
    isobutyl acetate 4.06
    tetrachloromethane 0.18
    n-pentyl acetate 7.52
    transcutol 115.18
    n-heptanol 10.39
    ethylbenzene 0.58
    MIBK 28.67
    2-propoxyethanol 109.45
    tert-butanol 75.32
    MTBE 11.07
    2-butoxyethanol 37.88
    propionic acid 24.55
    o-xylene 1.15
    formic acid 111.15
    diethyl ether 8.41
    m-xylene 1.37
    p-xylene 0.7
    chlorobenzene 0.41
    dimethyl carbonate 27.82
    n-octane 0.17
    formamide 214.17
    cyclopentanone 120.59
    2-pentanone 58.49
    anisole 5.76
    cyclopentyl methyl ether 27.51
    gamma-butyrolactone 94.88
    1-methoxy-2-propanol 318.41
    pyridine 8.49
    3-pentanone 19.24
    furfural 47.07
    n-dodecane 0.25
    diethylene glycol 168.37
    diisopropyl ether 2.86
    tert-amyl alcohol 30.54
    acetylacetone 93.09
    n-hexadecane 0.28
    acetophenone 9.29
    methyl propionate 32.67
    isopentyl acetate 8.22
    trichloroethylene 1.06
    n-nonanol 9.8
    cyclohexanol 14.55
    benzyl alcohol 9.61
    2-ethylhexanol 6.41
    isooctanol 8.02
    dipropyl ether 9.25
    1,2-dichlorobenzene 0.56
    ethyl lactate 29.73
    propylene carbonate 22.32
    n-methylformamide 171.9
    2-pentanol 19.16
    n-pentane 0.09
    1-propoxy-2-propanol 64.85
    1-methoxy-2-propyl acetate 33.51
    2-(2-methoxypropoxy) propanol 41.84
    mesitylene 1.16
    ε-caprolactone 29.08
    p-cymene 1.35
    epichlorohydrin 57.24
    1,1,1-trichloroethane 0.55
    2-aminoethanol 107.49
    morpholine-4-carbaldehyde 121.42
    sulfolane 217.4
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 34.7
    n-hexyl acetate 11.5
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 56.58
    sec-butyl acetate 6.21
    tert-butyl acetate 24.73
    decalin 0.12
    glycerin 237.48
    diglyme 100.12
    acrylic acid 28.52
    isopropyl myristate 5.47
    n-butyric acid 35.28
    acetyl acetate 12.47
    di(2-ethylhexyl) phthalate 6.5
    ethyl propionate 11.85
    nitromethane 210.02
    1,2-diethoxyethane 17.73
    benzonitrile 4.41
    trioctyl phosphate 6.47
    1-bromopropane 0.34
    gamma-valerolactone 150.41
    n-decanol 7.25
    triethyl phosphate 7.53
    4-methyl-2-pentanol 11.89
    propionitrile 13.45
    vinylene carbonate 13.86
    1,1,2-trichlorotrifluoroethane 70.74
    DMS 10.96
    cumene 0.56
    2-octanol 6.46
    2-hexanone 14.74
    octyl acetate 7.92
    limonene 2.21
    1,2-dimethoxyethane 143.9
    ethyl orthosilicate 6.33
    tributyl phosphate 6.42
    diacetone alcohol 102.02
    N,N-dimethylaniline 4.84
    acrylonitrile 23.58
    aniline 4.69
    1,3-propanediol 161.4
    bromobenzene 0.22
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 1.82
    2-methyl-cyclohexyl acetate 7.16
    tetrabutyl urea 12.02
    diisobutyl methanol 6.19
    2-phenylethanol 9.9
    styrene 0.5
    dioctyl adipate 9.65
    dimethyl sulfate 63.85
    ethyl butyrate 9.49
    methyl lactate 87.78
    butyl lactate 15.29
    diethyl carbonate 5.98
    propanediol butyl ether 41.95
    triethyl orthoformate 9.26
    p-tert-butyltoluene 1.54
    methyl 4-tert-butylbenzoate 16.76
    morpholine 79.85
    tert-butylamine 10.07
    n-dodecanol 5.08
    dimethoxymethane 213.51
    ethylene carbonate 14.29
    cyrene 49.03
    2-ethoxyethyl acetate 14.33
    2-ethylhexyl acetate 4.47
    1,2,4-trichlorobenzene 0.97
    4-methylpyridine 7.83
    dibutyl ether 5.64
    2,6-dimethyl-4-heptanol 6.19
    DEF 53.5
    dimethyl isosorbide 63.75
    tetrachloroethylene 1.37
    eugenol 19.75
    triacetin 17.67
    span 80 24.75
    1,4-butanediol 53.85
    1,1-dichloroethane 0.33
    2-methyl-1-pentanol 10.27
    methyl formate 107.29
    2-methyl-1-butanol 16.72
    n-decane 0.4
    butyronitrile 12.3
    3,7-dimethyl-1-octanol 8.17
    1-chlorooctane 1.64
    1-chlorotetradecane 0.76
    n-nonane 0.3
    undecane 0.32
    tert-butylcyclohexane 0.11
    cyclooctane 0.12
    cyclopentanol 28.83
    tetrahydropyran 18.17
    tert-amyl methyl ether 10.41
    2,5,8-trioxanonane 79.23
    1-hexene 0.31
    2-isopropoxyethanol 66.37
    2,2,2-trifluoroethanol 26.45
    methyl butyrate 18.19

    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