Castavinol

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  • Identifiers

    CAS number
    183607-09-2

    Molecular formula
    C26H30O13

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 72.11%
    Vanilla 41.3%
    Sweet 32.36%
    Milky 27.66%
    Creamy 25.43%
    Savory 21.94%
    Phenolic 21.23%
    Dairy 19.99%
    Spicy 18.13%
    Balsamic 17.61%

     

    Flavor
    Bitter 76.7%
    Bland 32.65%
    Odorless 30.4%
    Sweet-like 27.22%
    Cedarleaf 20.85%
    Parsley 20.47%
    Eugenol 20.0%
    Very mild 19.95%
    Lovage 19.44%
    Cotton candy 19.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    6.75 (neutral)

    Molecular weight
    550.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4179°C

    Flash point

    • 316.77 ˚C est.

  • Synonyms

    • Castavinol
    • CHEBI:191510
    • DTXSID401100027
    • 1-[(1S,9S,12R)-3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]ethanone
    • 183607-09-2
    • rel-1-[(2R,5R,10S)-10-(I(2)-D-Glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]ethanone
    • 183607-09-2

  • Applications

    Castavinol (CAS 183607-09-2) is a natural polyphenolic mixture that is often evaluated as an antioxidant and stabilizer in polymer, coating, and ink formulations, helping to improve shelf life and color stability. In cosmetics and personal care, it may be used as an antioxidant and/or natural colorant, and can contribute to fragrance stabilization and formulation integrity. In household and cleaning products, it can serve as an antioxidant additive to enhance product stability. It is also studied for use in adhesives and coatings as a polyphenol-based crosslinking or stabilizing agent to improve performance and durability. In industrial manufacturing, Castavinol may be considered as a natural-functional additive to formulations requiring polyphenolic components, with actual use depending on regulatory compliance and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.72
    methanol 124.72
    isopropanol 8.85
    water 1.26
    ethyl acetate 22.21
    n-propanol 15.87
    acetone 45.65
    n-butanol 7.62
    acetonitrile 15.6
    DMF 380.03
    toluene 0.88
    isobutanol 4.89
    1,4-dioxane 52.4
    methyl acetate 31.77
    THF 103.34
    2-butanone 24.87
    n-pentanol 4.52
    sec-butanol 5.73
    n-hexane 0.04
    ethylene glycol 80.39
    NMP 285.93
    cyclohexane 0.12
    DMSO 363.01
    n-butyl acetate 6.9
    n-octanol 3.78
    chloroform 7.99
    n-propyl acetate 9.85
    acetic acid 381.46
    dichloromethane 9.95
    cyclohexanone 27.44
    propylene glycol 60.03
    isopropyl acetate 9.13
    DMAc 282.71
    2-ethoxyethanol 98.88
    isopentanol 3.4
    n-heptane 0.12
    ethyl formate 33.43
    1,2-dichloroethane 6.74
    n-hexanol 2.93
    2-methoxyethanol 256.67
    isobutyl acetate 3.52
    tetrachloromethane 0.84
    n-pentyl acetate 8.54
    transcutol 79.08
    n-heptanol 4.09
    ethylbenzene 0.38
    MIBK 5.03
    2-propoxyethanol 62.54
    tert-butanol 4.9
    MTBE 2.43
    2-butoxyethanol 31.84
    propionic acid 51.22
    o-xylene 0.61
    formic acid 468.44
    diethyl ether 5.64
    m-xylene 0.48
    p-xylene 0.5
    chlorobenzene 1.29
    dimethyl carbonate 62.5
    n-octane 0.09
    formamide 356.68
    cyclopentanone 69.42
    2-pentanone 14.19
    anisole 4.07
    cyclopentyl methyl ether 10.27
    gamma-butyrolactone 150.41
    1-methoxy-2-propanol 113.2
    pyridine 21.08
    3-pentanone 10.0
    furfural 101.96
    n-dodecane 0.08
    diethylene glycol 111.49
    diisopropyl ether 0.74
    tert-amyl alcohol 3.98
    acetylacetone 49.77
    n-hexadecane 0.09
    acetophenone 8.16
    methyl propionate 35.9
    isopentyl acetate 4.55
    trichloroethylene 17.98
    n-nonanol 3.85
    cyclohexanol 4.18
    benzyl alcohol 7.55
    2-ethylhexanol 1.52
    isooctanol 2.62
    dipropyl ether 3.83
    1,2-dichlorobenzene 1.5
    ethyl lactate 21.62
    propylene carbonate 44.09
    n-methylformamide 204.26
    2-pentanol 2.96
    n-pentane 0.07
    1-propoxy-2-propanol 29.32
    1-methoxy-2-propyl acetate 23.63
    2-(2-methoxypropoxy) propanol 25.46
    mesitylene 0.29
    ε-caprolactone 41.44
    p-cymene 0.49
    epichlorohydrin 75.3
    1,1,1-trichloroethane 2.31
    2-aminoethanol 70.28
    morpholine-4-carbaldehyde 287.81
    sulfolane 219.62
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 17.48
    n-hexyl acetate 8.83
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 37.16
    sec-butyl acetate 4.16
    tert-butyl acetate 7.43
    decalin 0.05
    glycerin 193.78
    diglyme 77.32
    acrylic acid 96.82
    isopropyl myristate 2.55
    n-butyric acid 39.22
    acetyl acetate 23.86
    di(2-ethylhexyl) phthalate 5.02
    ethyl propionate 9.36
    nitromethane 460.4
    1,2-diethoxyethane 12.3
    benzonitrile 5.24
    trioctyl phosphate 4.09
    1-bromopropane 1.45
    gamma-valerolactone 242.67
    n-decanol 2.53
    triethyl phosphate 4.92
    4-methyl-2-pentanol 1.37
    propionitrile 8.37
    vinylene carbonate 51.01
    1,1,2-trichlorotrifluoroethane 157.3
    DMS 16.62
    cumene 0.24
    2-octanol 2.2
    2-hexanone 6.55
    octyl acetate 5.11
    limonene 0.83
    1,2-dimethoxyethane 80.58
    ethyl orthosilicate 3.8
    tributyl phosphate 3.9
    diacetone alcohol 25.07
    N,N-dimethylaniline 2.91
    acrylonitrile 21.78
    aniline 4.46
    1,3-propanediol 72.16
    bromobenzene 0.82
    dibromomethane 3.45
    1,1,2,2-tetrachloroethane 12.39
    2-methyl-cyclohexyl acetate 4.88
    tetrabutyl urea 7.35
    diisobutyl methanol 0.94
    2-phenylethanol 5.48
    styrene 0.52
    dioctyl adipate 6.66
    dimethyl sulfate 118.1
    ethyl butyrate 6.69
    methyl lactate 87.19
    butyl lactate 15.45
    diethyl carbonate 5.71
    propanediol butyl ether 35.01
    triethyl orthoformate 6.67
    p-tert-butyltoluene 0.45
    methyl 4-tert-butylbenzoate 12.09
    morpholine 73.73
    tert-butylamine 1.0
    n-dodecanol 1.64
    dimethoxymethane 146.36
    ethylene carbonate 35.46
    cyrene 51.47
    2-ethoxyethyl acetate 22.6
    2-ethylhexyl acetate 3.35
    1,2,4-trichlorobenzene 2.91
    4-methylpyridine 11.33
    dibutyl ether 2.44
    2,6-dimethyl-4-heptanol 0.94
    DEF 41.45
    dimethyl isosorbide 40.91
    tetrachloroethylene 8.68
    eugenol 15.82
    triacetin 23.77
    span 80 21.87
    1,4-butanediol 22.68
    1,1-dichloroethane 3.08
    2-methyl-1-pentanol 2.3
    methyl formate 173.27
    2-methyl-1-butanol 3.62
    n-decane 0.16
    butyronitrile 5.3
    3,7-dimethyl-1-octanol 2.11
    1-chlorooctane 0.77
    1-chlorotetradecane 0.29
    n-nonane 0.14
    undecane 0.11
    tert-butylcyclohexane 0.03
    cyclooctane 0.05
    cyclopentanol 10.3
    tetrahydropyran 12.65
    tert-amyl methyl ether 2.97
    2,5,8-trioxanonane 51.65
    1-hexene 0.21
    2-isopropoxyethanol 30.25
    2,2,2-trifluoroethanol 126.46
    methyl butyrate 13.41

    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