Camelliatannin A

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  • Identifiers

    CAS number
    138256-93-6

    Molecular formula
    C49H36O27

    SMILES
    C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C3=C(C(=C6O)O)O)C(=O)O4)O)O)O)C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O

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  • Odor profile

    Fragrance
    Odorless 77.34%
    Phenolic 40.96%
    Burnt 28.19%
    Smoky 19.8%
    Spicy 17.77%
    Balsamic 17.52%
    Savory 16.35%
    Medicinal 15.41%
    Vanilla 15.3%
    Bitter 14.27%

     

    Flavor
    Bitter 92.01%
    Odorless 29.73%
    Bland 28.6%
    Sweet-like 23.32%
    Cedarleaf 19.82%
    Lovage 19.1%
    Parsley 18.95%
    Eugenol 18.69%
    Nitrile 18.67%
    Rotten 18.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.2 (weak acid)

    Molecular weight
    1056.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    4042°C

    Flash point

    • 346.07 ˚C est.

  • Synonyms

    • Camelliatannin A
    • 138256-93-6
    • DTXSID601316587
    • 19-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-14-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3,4,7,8,9-hexahydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
    • 19-(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl)-14-(3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo(13.4.0.02,7)nonadeca-1(19),2,4,6,15,17-hexaen-10-yl)-2,3,4,7,8,9-hexahydroxy-13,16-dioxatetracyclo(13.3.1.05,18.06,11)nonadeca-1,3,5(18),6,8,10-hexaene-12,17-dione
    • RefChem:123107
    • DTXCID501746426
    • NSC 647312
    • NSC647312
    • SCHEMBL29370047
    • NSC-647312
    • [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]-[heptahydroxy(dioxo)[?]yl]-hexahydroxy-[?]dione
    • 15-[2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-8-(1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-1,2,3,12,13,14-hexahydroxy-7,8-dihydro-4,7-methanodibenzo[f,h][1,4]dioxecine-5,10-dione
    • 138256-93-6

  • Applications

    Camelliatannin A, CAS 138256-93-6, is a natural condensed tannin with potential use as a polyphenolic intermediate, stabilizer, or modifier in various polymer systems and formulations. Real-world and typical use areas under consideration include leather tanning as a tannin source; wood-based adhesives and resins; coatings and inks as a natural polyphenolic additive or crosslinking agent; cosmetics and personal care as an antioxidant and astringent ingredient; and polymers/plastics as a stabilizer or crosslinking modifier. Applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.91
    methanol 5.95
    isopropanol 1.95
    water 0.28
    ethyl acetate 3.13
    n-propanol 2.59
    acetone 6.48
    n-butanol 1.12
    acetonitrile 1.83
    DMF 115.37
    toluene 0.36
    isobutanol 0.83
    1,4-dioxane 15.4
    methyl acetate 6.32
    THF 26.72
    2-butanone 5.05
    n-pentanol 0.59
    sec-butanol 1.42
    n-hexane 0.01
    ethylene glycol 15.93
    NMP 83.0
    cyclohexane 0.02
    DMSO 57.37
    n-butyl acetate 1.13
    n-octanol 1.1
    chloroform 0.79
    n-propyl acetate 1.57
    acetic acid 29.81
    dichloromethane 1.02
    cyclohexanone 3.58
    propylene glycol 15.59
    isopropyl acetate 1.63
    DMAc 80.72
    2-ethoxyethanol 22.41
    isopentanol 0.48
    n-heptane 0.03
    ethyl formate 3.85
    1,2-dichloroethane 0.84
    n-hexanol 0.34
    2-methoxyethanol 63.86
    isobutyl acetate 0.43
    tetrachloromethane 0.1
    n-pentyl acetate 2.0
    transcutol 29.02
    n-heptanol 0.94
    ethylbenzene 0.1
    MIBK 0.72
    2-propoxyethanol 14.32
    tert-butanol 1.35
    MTBE 0.95
    2-butoxyethanol 9.87
    propionic acid 8.24
    o-xylene 0.22
    formic acid 44.1
    diethyl ether 1.3
    m-xylene 0.18
    p-xylene 0.11
    chlorobenzene 0.17
    dimethyl carbonate 12.57
    n-octane 0.03
    formamide 47.42
    cyclopentanone 13.3
    2-pentanone 2.36
    anisole 1.1
    cyclopentyl methyl ether 2.99
    gamma-butyrolactone 29.51
    1-methoxy-2-propanol 37.99
    pyridine 6.4
    3-pentanone 1.94
    furfural 22.91
    n-dodecane 0.02
    diethylene glycol 23.23
    diisopropyl ether 0.18
    tert-amyl alcohol 1.09
    acetylacetone 8.37
    n-hexadecane 0.03
    acetophenone 1.56
    methyl propionate 7.05
    isopentyl acetate 0.61
    trichloroethylene 2.4
    n-nonanol 1.14
    cyclohexanol 0.79
    benzyl alcohol 1.67
    2-ethylhexanol 0.21
    isooctanol 0.54
    dipropyl ether 1.17
    1,2-dichlorobenzene 0.17
    ethyl lactate 4.43
    propylene carbonate 6.55
    n-methylformamide 34.11
    2-pentanol 0.6
    n-pentane 0.02
    1-propoxy-2-propanol 9.59
    1-methoxy-2-propyl acetate 6.35
    2-(2-methoxypropoxy) propanol 8.14
    mesitylene 0.08
    ε-caprolactone 6.13
    p-cymene 0.1
    epichlorohydrin 15.03
    1,1,1-trichloroethane 0.28
    2-aminoethanol 13.5
    morpholine-4-carbaldehyde 96.25
    sulfolane 44.5
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 4.61
    n-hexyl acetate 2.07
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 12.43
    sec-butyl acetate 0.64
    tert-butyl acetate 1.61
    decalin 0.01
    glycerin 58.44
    diglyme 25.35
    acrylic acid 16.0
    isopropyl myristate 0.62
    n-butyric acid 4.35
    acetyl acetate 2.66
    di(2-ethylhexyl) phthalate 0.85
    ethyl propionate 1.75
    nitromethane 56.12
    1,2-diethoxyethane 4.02
    benzonitrile 0.68
    trioctyl phosphate 0.73
    1-bromopropane 0.22
    gamma-valerolactone 58.7
    n-decanol 0.71
    triethyl phosphate 0.85
    4-methyl-2-pentanol 0.22
    propionitrile 1.27
    vinylene carbonate 6.85
    1,1,2-trichlorotrifluoroethane 35.48
    DMS 3.9
    cumene 0.05
    2-octanol 0.62
    2-hexanone 0.95
    octyl acetate 1.32
    limonene 0.14
    1,2-dimethoxyethane 21.18
    ethyl orthosilicate 0.76
    tributyl phosphate 0.6
    diacetone alcohol 6.27
    N,N-dimethylaniline 0.89
    acrylonitrile 3.62
    aniline 1.39
    1,3-propanediol 13.29
    bromobenzene 0.11
    dibromomethane 0.31
    1,1,2,2-tetrachloroethane 1.83
    2-methyl-cyclohexyl acetate 0.61
    tetrabutyl urea 1.66
    diisobutyl methanol 0.15
    2-phenylethanol 0.92
    styrene 0.14
    dioctyl adipate 1.51
    dimethyl sulfate 27.47
    ethyl butyrate 1.25
    methyl lactate 21.21
    butyl lactate 4.07
    diethyl carbonate 0.97
    propanediol butyl ether 13.95
    triethyl orthoformate 1.72
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 3.36
    morpholine 22.83
    tert-butylamine 0.31
    n-dodecanol 0.45
    dimethoxymethane 39.31
    ethylene carbonate 4.2
    cyrene 11.05
    2-ethoxyethyl acetate 6.61
    2-ethylhexyl acetate 0.45
    1,2,4-trichlorobenzene 0.41
    4-methylpyridine 2.91
    dibutyl ether 0.79
    2,6-dimethyl-4-heptanol 0.15
    DEF 8.15
    dimethyl isosorbide 10.26
    tetrachloroethylene 1.12
    eugenol 3.81
    triacetin 6.3
    span 80 7.4
    1,4-butanediol 3.55
    1,1-dichloroethane 0.42
    2-methyl-1-pentanol 0.27
    methyl formate 27.67
    2-methyl-1-butanol 0.59
    n-decane 0.05
    butyronitrile 0.69
    3,7-dimethyl-1-octanol 0.39
    1-chlorooctane 0.2
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 2.32
    tetrahydropyran 2.86
    tert-amyl methyl ether 0.96
    2,5,8-trioxanonane 16.1
    1-hexene 0.05
    2-isopropoxyethanol 7.63
    2,2,2-trifluoroethanol 15.29
    methyl butyrate 2.21

    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