Zapotinin

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  • Identifiers

    CAS number
    14813-20-8

    Molecular formula
    C18H16O6

    SMILES
    COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(O2)C=CC(=C3O)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 57.7%
    Sweet 56.67%
    Vanilla 49.44%
    Spicy 48.53%
    Smoky 39.04%
    Woody 37.49%
    Powdery 35.98%
    Balsamic 35.29%
    Burnt 31.72%
    Fruity 31.02%

     

    Flavor
    Bitter 82.84%
    Parsley 21.99%
    Bland 21.2%
    Eugenol 20.86%
    Lovage 19.93%
    Cedarleaf 19.91%
    Sweet-like 19.41%
    Ripe apricot 19.35%
    Ethyl benzoate 19.21%
    Ham 19.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.91 (neutral)

    Molecular weight
    328.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    563°C

    Melting point expt.

    • 224 - 225 °C

    Flash point

    • 191.97 ˚C est.

  • Synonyms

    • Zapotinin
    • 4P55Z8978Y
    • 2-(2,6-Dimethoxyphenyl)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one
    • 2-(2,6-Dimethoxyphenyl)-6-methoxy-5-oxidanyl-chromen-4-one
    • 4H-1-Benzopyran-4-one, 2-(2,6-dimethoxyphenyl)-5-hydroxy-6-methoxy-
    • 5-Hydroxy-2',6,6'-trimethoxyflavone
    • 2-(2,6-dimethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
    • RefChem:195861
    • 14813-20-8
    • UNII-4P55Z8978Y
    • 2-(2,6-dimethoxyphenyl)-5-hydroxy-6-methoxy-4H-chromen-4-one
    • SCHEMBL26115259
    • SCHEMBL29435860
    • CHEBI:174393
    • DTXSID401169837
    • LMPK12110090
    • 5-hydroxy-2',6',6-trimeth-oxyflavone
    • Q63392082
    • 14813-20-8

  • Applications

    Zapotinin (CAS 14813-20-8) is considered an intermediate in organic synthesis and may be used as a solvent or processing aid in various industrial manufacturing steps. In the polymers/plastics sector, it can function as a stabilizer or plasticizer, supporting material properties and processing. In coatings and inks, it may serve as a component additive or solvent within formulations. In cosmetics or personal care, it may be evaluated as a stabilizing or protective additive, depending on regulatory requirements and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.37
    methanol 0.39
    isopropanol 0.44
    water 0.0
    ethyl acetate 3.39
    n-propanol 0.64
    acetone 4.31
    n-butanol 0.54
    acetonitrile 2.93
    DMF 17.96
    toluene 0.81
    isobutanol 0.72
    1,4-dioxane 7.18
    methyl acetate 5.38
    THF 27.56
    2-butanone 4.88
    n-pentanol 0.69
    sec-butanol 0.59
    n-hexane 0.05
    ethylene glycol 0.66
    NMP 37.27
    cyclohexane 0.09
    DMSO 50.68
    n-butyl acetate 3.38
    n-octanol 0.62
    chloroform 10.43
    n-propyl acetate 3.66
    acetic acid 5.0
    dichloromethane 17.51
    cyclohexanone 11.53
    propylene glycol 0.5
    isopropyl acetate 2.51
    DMAc 35.35
    2-ethoxyethanol 4.14
    isopentanol 0.94
    n-heptane 0.09
    ethyl formate 2.39
    1,2-dichloroethane 12.39
    n-hexanol 0.75
    2-methoxyethanol 6.23
    isobutyl acetate 2.68
    tetrachloromethane 0.72
    n-pentyl acetate 2.34
    transcutol 14.64
    n-heptanol 0.77
    ethylbenzene 0.64
    MIBK 2.66
    2-propoxyethanol 6.45
    tert-butanol 1.26
    MTBE 1.32
    2-butoxyethanol 3.73
    propionic acid 2.9
    o-xylene 0.85
    formic acid 1.99
    diethyl ether 1.08
    m-xylene 0.66
    p-xylene 1.15
    chlorobenzene 2.31
    dimethyl carbonate 6.18
    n-octane 0.04
    formamide 4.77
    cyclopentanone 20.23
    2-pentanone 2.81
    anisole 2.78
    cyclopentyl methyl ether 5.28
    gamma-butyrolactone 31.21
    1-methoxy-2-propanol 4.1
    pyridine 7.69
    3-pentanone 3.55
    furfural 24.86
    n-dodecane 0.06
    diethylene glycol 7.54
    diisopropyl ether 0.47
    tert-amyl alcohol 1.15
    acetylacetone 8.22
    n-hexadecane 0.08
    acetophenone 5.27
    methyl propionate 5.18
    isopentyl acetate 4.08
    trichloroethylene 26.47
    n-nonanol 0.79
    cyclohexanol 1.39
    benzyl alcohol 2.74
    2-ethylhexanol 1.09
    isooctanol 0.94
    dipropyl ether 1.95
    1,2-dichlorobenzene 3.64
    ethyl lactate 2.96
    propylene carbonate 9.97
    n-methylformamide 4.93
    2-pentanol 0.4
    n-pentane 0.03
    1-propoxy-2-propanol 4.14
    1-methoxy-2-propyl acetate 7.13
    2-(2-methoxypropoxy) propanol 6.75
    mesitylene 0.46
    ε-caprolactone 10.41
    p-cymene 1.06
    epichlorohydrin 38.22
    1,1,1-trichloroethane 5.12
    2-aminoethanol 0.9
    morpholine-4-carbaldehyde 26.91
    sulfolane 61.25
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 8.43
    n-hexyl acetate 2.55
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 6.13
    sec-butyl acetate 2.57
    tert-butyl acetate 4.04
    decalin 0.14
    glycerin 2.72
    diglyme 17.37
    acrylic acid 4.62
    isopropyl myristate 1.54
    n-butyric acid 2.53
    acetyl acetate 4.1
    di(2-ethylhexyl) phthalate 2.5
    ethyl propionate 4.03
    nitromethane 20.14
    1,2-diethoxyethane 4.49
    benzonitrile 3.61
    trioctyl phosphate 1.48
    1-bromopropane 2.24
    gamma-valerolactone 27.98
    n-decanol 0.64
    triethyl phosphate 4.47
    4-methyl-2-pentanol 0.54
    propionitrile 2.63
    vinylene carbonate 9.44
    1,1,2-trichlorotrifluoroethane 31.3
    DMS 6.84
    cumene 0.68
    2-octanol 0.51
    2-hexanone 3.53
    octyl acetate 1.79
    limonene 1.35
    1,2-dimethoxyethane 11.8
    ethyl orthosilicate 3.74
    tributyl phosphate 2.21
    diacetone alcohol 5.87
    N,N-dimethylaniline 2.79
    acrylonitrile 5.32
    aniline 2.22
    1,3-propanediol 1.54
    bromobenzene 2.17
    dibromomethane 6.55
    1,1,2,2-tetrachloroethane 17.85
    2-methyl-cyclohexyl acetate 5.08
    tetrabutyl urea 3.57
    diisobutyl methanol 1.0
    2-phenylethanol 3.19
    styrene 0.73
    dioctyl adipate 3.58
    dimethyl sulfate 20.98
    ethyl butyrate 4.04
    methyl lactate 4.59
    butyl lactate 2.67
    diethyl carbonate 3.7
    propanediol butyl ether 2.21
    triethyl orthoformate 4.16
    p-tert-butyltoluene 0.92
    methyl 4-tert-butylbenzoate 6.06
    morpholine 8.99
    tert-butylamine 0.52
    n-dodecanol 0.53
    dimethoxymethane 9.8
    ethylene carbonate 6.98
    cyrene 11.08
    2-ethoxyethyl acetate 5.37
    2-ethylhexyl acetate 3.43
    1,2,4-trichlorobenzene 5.85
    4-methylpyridine 5.4
    dibutyl ether 1.37
    2,6-dimethyl-4-heptanol 1.0
    DEF 6.75
    dimethyl isosorbide 19.27
    tetrachloroethylene 9.84
    eugenol 5.9
    triacetin 6.03
    span 80 3.89
    1,4-butanediol 0.71
    1,1-dichloroethane 3.94
    2-methyl-1-pentanol 1.19
    methyl formate 5.02
    2-methyl-1-butanol 0.84
    n-decane 0.09
    butyronitrile 1.65
    3,7-dimethyl-1-octanol 0.93
    1-chlorooctane 0.58
    1-chlorotetradecane 0.32
    n-nonane 0.06
    undecane 0.08
    tert-butylcyclohexane 0.12
    cyclooctane 0.04
    cyclopentanol 2.49
    tetrahydropyran 3.71
    tert-amyl methyl ether 1.5
    2,5,8-trioxanonane 13.69
    1-hexene 0.26
    2-isopropoxyethanol 3.3
    2,2,2-trifluoroethanol 4.16
    methyl butyrate 4.9

    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