5-Hydroxycastavinol

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  • Identifiers

    CAS number
    183607-17-2

    Molecular formula
    C26H30O14

    SMILES
    CC(=O)C1([C@@H]2[C@H]([C@](O1)(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C(=C4)OC)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 77.82%
    Vanilla 32.49%
    Milky 25.01%
    Sweet 22.73%
    Savory 21.69%
    Phenolic 21.1%
    Creamy 20.38%
    Dairy 17.6%
    Smoky 17.1%
    Burnt 16.88%

     

    Flavor
    Bitter 75.24%
    Bland 33.8%
    Odorless 32.39%
    Sweet-like 27.46%
    Cedarleaf 20.78%
    Parsley 20.37%
    Very mild 20.36%
    Eugenol 20.11%
    Lovage 19.29%
    Very slight 19.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    7.05 (neutral)

    Molecular weight
    566.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4752°C

    Flash point

    • 325.97 ˚C est.

  • Synonyms

    • 5-Hydroxycastavinol
    • ZHZ5SCW9G9
    • Castavinol C3
    • 183607-17-2
    • UNII-ZHZ5SCW9G9
    • 1-((2S,5S,10R)-2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-10-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO-6,8-DIHYDROXY-4-METHYL-2,5-METHANO-1,3-BENZODIOXEPIN-4-YL)ETHANONE
    • 1-((2S,5S,10R)-2-(3,4-Dihydroxy-5-methoxyphenyl)-10-(beta-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl)ethanone
    • ETHANONE, 1-((2S,5S,10R)-2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-10-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO-6,8-DIHYDROXY-4-METHYL-2,5-METHANO-1,3-BENZODIOXEPIN-4-YL)-
    • Ethanone, 1-((2S,5S,10R)-2-(3,4-dihydroxy-5-methoxyphenyl)-10-(beta-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl)-
    • ETHANONE, 1-(2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-10-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO-6,8-DIHYDROXY-4-METHYL-2,5-METHANO-1,3-BENZODIOXEPIN-4-YL)-, (2S,5S,10R)-
    • Ethanone, 1-(2-(3,4-dihydroxy-5-methoxyphenyl)-10-(beta-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl)-, (2S,5S,10R)-
    • 183607-17-2

  • Applications

    5-Hydroxycastavinol (CAS 183607-17-2) is used as a synthetic building block and specialty intermediate in organic synthesis. In cosmetics and personal care, it is commonly evaluated as an antioxidant and stabilizer for formulations and may help protect sensitive ingredients. In perfumery and flavors, it may serve as an odorant or fragrance component contributing to aroma profiles. In polymers and coatings, it can function as an antioxidant or stabilizer and as a building block for specialty dyes or functional additives. In industrial manufacturing, it may be used as an intermediate to prepare other specialty chemicals, and in pharmaceutical research it may be explored as a synthetic intermediate. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.2
    methanol 94.97
    isopropanol 9.14
    water 1.12
    ethyl acetate 21.34
    n-propanol 15.6
    acetone 43.29
    n-butanol 7.27
    acetonitrile 14.26
    DMF 316.47
    toluene 0.79
    isobutanol 4.77
    1,4-dioxane 50.73
    methyl acetate 30.49
    THF 100.92
    2-butanone 24.08
    n-pentanol 4.21
    sec-butanol 5.87
    n-hexane 0.04
    ethylene glycol 74.11
    NMP 250.96
    cyclohexane 0.12
    DMSO 324.59
    n-butyl acetate 6.8
    n-octanol 3.77
    chloroform 6.71
    n-propyl acetate 9.67
    acetic acid 347.69
    dichloromethane 8.09
    cyclohexanone 24.98
    propylene glycol 57.43
    isopropyl acetate 8.97
    DMAc 253.2
    2-ethoxyethanol 95.63
    isopentanol 3.18
    n-heptane 0.12
    ethyl formate 32.41
    1,2-dichloroethane 5.71
    n-hexanol 2.87
    2-methoxyethanol 233.93
    isobutyl acetate 3.22
    tetrachloromethane 0.79
    n-pentyl acetate 8.04
    transcutol 72.35
    n-heptanol 4.03
    ethylbenzene 0.34
    MIBK 4.43
    2-propoxyethanol 59.41
    tert-butanol 5.05
    MTBE 2.44
    2-butoxyethanol 30.66
    propionic acid 48.93
    o-xylene 0.54
    formic acid 404.48
    diethyl ether 5.59
    m-xylene 0.41
    p-xylene 0.44
    chlorobenzene 1.05
    dimethyl carbonate 54.53
    n-octane 0.09
    formamide 316.53
    cyclopentanone 65.23
    2-pentanone 13.3
    anisole 3.57
    cyclopentyl methyl ether 9.76
    gamma-butyrolactone 140.66
    1-methoxy-2-propanol 105.15
    pyridine 19.79
    3-pentanone 9.05
    furfural 91.82
    n-dodecane 0.08
    diethylene glycol 103.21
    diisopropyl ether 0.71
    tert-amyl alcohol 4.06
    acetylacetone 45.24
    n-hexadecane 0.09
    acetophenone 6.98
    methyl propionate 33.22
    isopentyl acetate 4.2
    trichloroethylene 14.59
    n-nonanol 3.79
    cyclohexanol 3.99
    benzyl alcohol 6.47
    2-ethylhexanol 1.45
    isooctanol 2.43
    dipropyl ether 3.73
    1,2-dichlorobenzene 1.19
    ethyl lactate 19.49
    propylene carbonate 40.25
    n-methylformamide 175.08
    2-pentanol 2.89
    n-pentane 0.07
    1-propoxy-2-propanol 27.88
    1-methoxy-2-propyl acetate 21.52
    2-(2-methoxypropoxy) propanol 22.94
    mesitylene 0.24
    ε-caprolactone 38.73
    p-cymene 0.42
    epichlorohydrin 67.95
    1,1,1-trichloroethane 2.08
    2-aminoethanol 64.24
    morpholine-4-carbaldehyde 260.78
    sulfolane 195.63
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 17.85
    n-hexyl acetate 8.42
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 34.36
    sec-butyl acetate 3.94
    tert-butyl acetate 6.98
    decalin 0.05
    glycerin 180.04
    diglyme 70.18
    acrylic acid 87.59
    isopropyl myristate 2.43
    n-butyric acid 36.74
    acetyl acetate 22.01
    di(2-ethylhexyl) phthalate 4.33
    ethyl propionate 8.86
    nitromethane 419.54
    1,2-diethoxyethane 11.82
    benzonitrile 4.54
    trioctyl phosphate 3.68
    1-bromopropane 1.31
    gamma-valerolactone 222.1
    n-decanol 2.47
    triethyl phosphate 4.41
    4-methyl-2-pentanol 1.27
    propionitrile 7.77
    vinylene carbonate 43.8
    1,1,2-trichlorotrifluoroethane 140.96
    DMS 15.38
    cumene 0.22
    2-octanol 2.19
    2-hexanone 6.02
    octyl acetate 4.89
    limonene 0.74
    1,2-dimethoxyethane 77.81
    ethyl orthosilicate 3.41
    tributyl phosphate 3.48
    diacetone alcohol 23.02
    N,N-dimethylaniline 2.54
    acrylonitrile 19.2
    aniline 4.1
    1,3-propanediol 68.29
    bromobenzene 0.66
    dibromomethane 2.88
    1,1,2,2-tetrachloroethane 10.7
    2-methyl-cyclohexyl acetate 4.22
    tetrabutyl urea 6.54
    diisobutyl methanol 0.87
    2-phenylethanol 4.87
    styrene 0.47
    dioctyl adipate 5.94
    dimethyl sulfate 100.14
    ethyl butyrate 6.25
    methyl lactate 77.14
    butyl lactate 14.08
    diethyl carbonate 5.22
    propanediol butyl ether 32.67
    triethyl orthoformate 6.35
    p-tert-butyltoluene 0.39
    methyl 4-tert-butylbenzoate 10.37
    morpholine 72.94
    tert-butylamine 1.02
    n-dodecanol 1.6
    dimethoxymethane 128.87
    ethylene carbonate 31.47
    cyrene 44.34
    2-ethoxyethyl acetate 21.43
    2-ethylhexyl acetate 3.14
    1,2,4-trichlorobenzene 2.36
    4-methylpyridine 10.41
    dibutyl ether 2.36
    2,6-dimethyl-4-heptanol 0.87
    DEF 37.6
    dimethyl isosorbide 36.31
    tetrachloroethylene 7.53
    eugenol 13.73
    triacetin 21.16
    span 80 19.95
    1,4-butanediol 20.92
    1,1-dichloroethane 2.76
    2-methyl-1-pentanol 2.1
    methyl formate 149.82
    2-methyl-1-butanol 3.46
    n-decane 0.16
    butyronitrile 4.93
    3,7-dimethyl-1-octanol 1.92
    1-chlorooctane 0.74
    1-chlorotetradecane 0.28
    n-nonane 0.14
    undecane 0.11
    tert-butylcyclohexane 0.03
    cyclooctane 0.05
    cyclopentanol 10.48
    tetrahydropyran 12.66
    tert-amyl methyl ether 2.89
    2,5,8-trioxanonane 46.49
    1-hexene 0.22
    2-isopropoxyethanol 28.74
    2,2,2-trifluoroethanol 117.02
    methyl butyrate 12.61

    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