Hamamelitannin

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  • Identifiers

    CAS number
    469-32-9

    Molecular formula
    C20H20O14

    SMILES
    C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@H]([C@H]([C@](COC(=O)C2=CC(=C(C(=C2)O)O)O)(C=O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 83.36%
    Savory 19.7%
    Milky 19.64%
    Balsamic 17.69%
    Clean 16.62%
    Burnt 16.11%
    Bitter 15.91%
    Phenolic 15.4%
    Vanilla 15.39%
    Cooling 14.26%

     

    Flavor
    Bitter 70.57%
    Odorless 52.64%
    Bland 39.78%
    Very mild 30.33%
    Sweet-like 26.32%
    Mild 24.32%
    Yeast 18.69%
    Parsley 18.37%
    Heather 18.35%
    Cedarleaf 18.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    6.99 (neutral)

    Molecular weight
    484.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2178°C

    Flash point

    • 306.95 ˚C est.

  • Synonyms

    • Z4320A2K26
    • RefChem:145146
    • 2',5-Di-O-galloyl hamamelose
    • 207-416-3
    • D-Ribofuranose, 2-C-(((3,4,5-trihydroxybenzoyl)oxy)methyl)-, 5-(3,4,5-trihydroxybenzoate)
    • ((2R,3R,4R)-3,4,5-trihydroxy-4-((3,4,5-trihydroxybenzoyl)oxymethyl)oxolan-2-yl)methyl 3,4,5-trihydroxybenzoate
    • 469-32-9
    • digalloylhamamelose
    • Hamamelitannin
    • hamamelitannin (open form)
    • HAMAMELITANNIN [MI]
    • orb1297347
    • UNII-Z4320A2K26
    • HY-N4117
    • EINECS 207-416-3
    • AKOS040760441
    • FH65038
    • 2',5-DI-O-GALLOYL-D-HAMAMELOSE
    • CS-0032127
    • NS00043231
    • 2-C-((Galloyloxy)methyl)-D-ribose 5-gallate
    • Q27294967
    • Gallic acid, 21,5-diester with 2-C-(hydroxymethyl)-D-ribose
    • [(2R,3R,4R)-4-formyl-2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-pentyl] 3,4,5-trihydroxybenzoate
    • D-RIBOSE, 2-C-(((3,4,5-TRIHYDROXYBENZOYL)OXY)METHYL)-, 5-(3,4,5-TRIHYDROXYBENZOATE)
    • 469-32-9

  • Applications

    Hamamelitannin (CAS 469-32-9) is a natural hydrolyzable tannin isolated from witch hazel; in industry, it may be used as a source of polyphenolic material for cosmetics and personal care as a natural astringent and antioxidant constituent; in leather processing, it may function as a tannin-based tanning agent; in polymer and materials science, it is evaluated as a building block for polyphenol-based polymers and as a potential cross-linking agent; in coatings and inks, it may serve as a natural colorant or resin modifier; in research settings, it is used as a reference polyphenol for antioxidant studies and structure-activity investigations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.37
    methanol 49.42
    isopropanol 26.95
    water 4.18
    ethyl acetate 17.54
    n-propanol 28.09
    acetone 49.77
    n-butanol 12.95
    acetonitrile 14.01
    DMF 357.8
    toluene 1.0
    isobutanol 7.24
    1,4-dioxane 61.23
    methyl acetate 28.12
    THF 145.74
    2-butanone 26.03
    n-pentanol 4.92
    sec-butanol 16.54
    n-hexane 0.09
    ethylene glycol 122.95
    NMP 168.25
    cyclohexane 0.27
    DMSO 796.82
    n-butyl acetate 1.55
    n-octanol 3.42
    chloroform 0.77
    n-propyl acetate 3.81
    acetic acid 154.07
    dichloromethane 1.3
    cyclohexanone 10.59
    propylene glycol 130.91
    isopropyl acetate 7.26
    DMAc 278.98
    2-ethoxyethanol 155.94
    isopentanol 4.35
    n-heptane 0.27
    ethyl formate 11.85
    1,2-dichloroethane 1.72
    n-hexanol 1.87
    2-methoxyethanol 465.36
    isobutyl acetate 0.63
    tetrachloromethane 0.15
    n-pentyl acetate 2.35
    transcutol 83.1
    n-heptanol 3.47
    ethylbenzene 0.3
    MIBK 3.16
    2-propoxyethanol 47.04
    tert-butanol 19.02
    MTBE 8.05
    2-butoxyethanol 24.0
    propionic acid 34.9
    o-xylene 0.73
    formic acid 206.23
    diethyl ether 13.35
    m-xylene 0.46
    p-xylene 0.25
    chlorobenzene 0.2
    dimethyl carbonate 35.29
    n-octane 0.17
    formamide 361.23
    cyclopentanone 43.92
    2-pentanone 14.33
    anisole 3.5
    cyclopentyl methyl ether 17.1
    gamma-butyrolactone 73.91
    1-methoxy-2-propanol 242.25
    pyridine 17.43
    3-pentanone 8.79
    furfural 33.92
    n-dodecane 0.11
    diethylene glycol 81.11
    diisopropyl ether 1.29
    tert-amyl alcohol 13.62
    acetylacetone 31.46
    n-hexadecane 0.12
    acetophenone 3.1
    methyl propionate 30.5
    isopentyl acetate 0.76
    trichloroethylene 2.45
    n-nonanol 3.43
    cyclohexanol 7.13
    benzyl alcohol 4.49
    2-ethylhexanol 0.71
    isooctanol 1.69
    dipropyl ether 5.25
    1,2-dichlorobenzene 0.17
    ethyl lactate 10.25
    propylene carbonate 10.0
    n-methylformamide 150.97
    2-pentanol 7.59
    n-pentane 0.21
    1-propoxy-2-propanol 24.12
    1-methoxy-2-propyl acetate 9.01
    2-(2-methoxypropoxy) propanol 16.73
    mesitylene 0.22
    ε-caprolactone 15.49
    p-cymene 0.2
    epichlorohydrin 47.27
    1,1,1-trichloroethane 0.43
    2-aminoethanol 136.26
    morpholine-4-carbaldehyde 185.48
    sulfolane 118.89
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 29.75
    n-hexyl acetate 3.08
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 31.46
    sec-butyl acetate 1.77
    tert-butyl acetate 6.85
    decalin 0.05
    glycerin 322.84
    diglyme 64.5
    acrylic acid 46.14
    isopropyl myristate 1.09
    n-butyric acid 20.92
    acetyl acetate 7.39
    di(2-ethylhexyl) phthalate 0.92
    ethyl propionate 5.65
    nitromethane 276.47
    1,2-diethoxyethane 11.33
    benzonitrile 0.97
    trioctyl phosphate 1.15
    1-bromopropane 0.68
    gamma-valerolactone 118.79
    n-decanol 2.28
    triethyl phosphate 1.39
    4-methyl-2-pentanol 1.65
    propionitrile 5.61
    vinylene carbonate 7.26
    1,1,2-trichlorotrifluoroethane 55.65
    DMS 4.3
    cumene 0.14
    2-octanol 2.07
    2-hexanone 2.96
    octyl acetate 2.19
    limonene 0.38
    1,2-dimethoxyethane 85.85
    ethyl orthosilicate 1.39
    tributyl phosphate 0.85
    diacetone alcohol 31.27
    N,N-dimethylaniline 2.44
    acrylonitrile 10.59
    aniline 4.83
    1,3-propanediol 122.12
    bromobenzene 0.13
    dibromomethane 0.5
    1,1,2,2-tetrachloroethane 2.74
    2-methyl-cyclohexyl acetate 0.85
    tetrabutyl urea 2.51
    diisobutyl methanol 0.56
    2-phenylethanol 1.86
    styrene 0.35
    dioctyl adipate 2.22
    dimethyl sulfate 63.93
    ethyl butyrate 2.5
    methyl lactate 66.61
    butyl lactate 4.53
    diethyl carbonate 1.46
    propanediol butyl ether 24.19
    triethyl orthoformate 3.14
    p-tert-butyltoluene 0.24
    methyl 4-tert-butylbenzoate 5.33
    morpholine 116.57
    tert-butylamine 4.04
    n-dodecanol 1.48
    dimethoxymethane 205.47
    ethylene carbonate 6.06
    cyrene 23.87
    2-ethoxyethyl acetate 7.84
    2-ethylhexyl acetate 0.51
    1,2,4-trichlorobenzene 0.42
    4-methylpyridine 6.71
    dibutyl ether 2.53
    2,6-dimethyl-4-heptanol 0.56
    DEF 36.61
    dimethyl isosorbide 17.35
    tetrachloroethylene 1.4
    eugenol 5.97
    triacetin 6.79
    span 80 12.45
    1,4-butanediol 30.82
    1,1-dichloroethane 0.8
    2-methyl-1-pentanol 1.72
    methyl formate 85.47
    2-methyl-1-butanol 5.34
    n-decane 0.24
    butyronitrile 3.31
    3,7-dimethyl-1-octanol 1.1
    1-chlorooctane 0.52
    1-chlorotetradecane 0.2
    n-nonane 0.22
    undecane 0.15
    tert-butylcyclohexane 0.03
    cyclooctane 0.15
    cyclopentanol 19.72
    tetrahydropyran 20.52
    tert-amyl methyl ether 8.24
    2,5,8-trioxanonane 42.04
    1-hexene 0.3
    2-isopropoxyethanol 43.23
    2,2,2-trifluoroethanol 49.41
    methyl butyrate 6.35

    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