Strictinin

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  • Identifiers

    CAS number
    517-46-4

    Molecular formula
    C27H22O18

    SMILES
    C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 82.26%
    Phenolic 34.24%
    Burnt 24.57%
    Balsamic 18.02%
    Smoky 17.09%
    Savory 15.97%
    Spicy 15.28%
    Vanilla 15.06%
    Milky 14.33%
    Bitter 13.82%

     

    Flavor
    Bitter 86.36%
    Odorless 35.03%
    Bland 31.96%
    Sweet-like 24.7%
    Very mild 21.27%
    Cedarleaf 20.0%
    Eugenol 19.7%
    Parsley 19.58%
    Lovage 19.58%
    Nitrile 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    5.71 (weak acid)

    Molecular weight
    634.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5539°C

    Flash point

    • 343.18 ˚C est.

  • Synonyms

    • Strictinin
    • 517-46-4
    • [(10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate
    • DTXSID30965971
    • ((10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo(17.4.0.02,7.010,15)tricosa-1(23),2,4,6,19,21-hexaen-13-yl) 3,4,5-trihydroxybenzoate
    • RefChem:186021
    • DTXCID301393625
    • (11ar,13s,14r,15r,15as)-2,3,4,5,6,7,14,15-octahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-13-yl 3,4,5-trihydroxybenzoate
    • CHEMBL504212
    • SCHEMBL26093001
    • SCHEMBL29369362
    • BDBM50565810
    • Glucopyranose, cyclic 4,6-(4,4',5,5',6,6'-hexahydroxydiphenate) 1-gallate, beta-D-
    • DA-78061
    • HY-135319
    • CS-0111361
    • G89176
    • Q17119299
    • .beta.-D-Glucopyranose, cyclic 4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)-1-(3,4,5-trihydroxybenzoate), stereoisomer
    • beta-D-Glucopyranose, cyclic 4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), stereooisomer
    • 517-46-4

  • Applications

    Strictinin is an ellagitannin, a natural polyphenol. Potential applications include use as an antioxidant and crosslinking/stabilizing additive in polymer and plastics formulations; as a natural colorant and stabilizer in coatings and inks; in cosmetics/personal care as an antioxidant and an astringent polyphenol; in leather tanning and wood treatment as a tannin-type agent; and in some food-processing contexts as an antioxidant and sensory-modifying additive under regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.43
    methanol 12.57
    isopropanol 9.05
    water 0.96
    ethyl acetate 8.96
    n-propanol 8.91
    acetone 25.42
    n-butanol 3.72
    acetonitrile 6.01
    DMF 166.28
    toluene 0.91
    isobutanol 2.89
    1,4-dioxane 42.75
    methyl acetate 17.56
    THF 84.38
    2-butanone 15.12
    n-pentanol 2.0
    sec-butanol 5.45
    n-hexane 0.04
    ethylene glycol 38.99
    NMP 109.68
    cyclohexane 0.13
    DMSO 177.71
    n-butyl acetate 2.13
    n-octanol 2.99
    chloroform 1.13
    n-propyl acetate 3.56
    acetic acid 84.42
    dichloromethane 1.49
    cyclohexanone 9.28
    propylene glycol 38.55
    isopropyl acetate 4.43
    DMAc 145.54
    2-ethoxyethanol 52.68
    isopentanol 1.56
    n-heptane 0.13
    ethyl formate 7.8
    1,2-dichloroethane 1.61
    n-hexanol 1.1
    2-methoxyethanol 129.76
    isobutyl acetate 0.82
    tetrachloromethane 0.19
    n-pentyl acetate 3.56
    transcutol 48.78
    n-heptanol 2.38
    ethylbenzene 0.25
    MIBK 1.87
    2-propoxyethanol 25.7
    tert-butanol 5.96
    MTBE 3.58
    2-butoxyethanol 17.23
    propionic acid 21.9
    o-xylene 0.55
    formic acid 76.83
    diethyl ether 5.21
    m-xylene 0.39
    p-xylene 0.26
    chlorobenzene 0.3
    dimethyl carbonate 21.85
    n-octane 0.11
    formamide 100.78
    cyclopentanone 31.59
    2-pentanone 7.15
    anisole 2.17
    cyclopentyl methyl ether 9.21
    gamma-butyrolactone 58.62
    1-methoxy-2-propanol 75.59
    pyridine 14.83
    3-pentanone 5.38
    furfural 29.39
    n-dodecane 0.09
    diethylene glycol 40.33
    diisopropyl ether 0.67
    tert-amyl alcohol 4.3
    acetylacetone 18.75
    n-hexadecane 0.1
    acetophenone 2.59
    methyl propionate 16.14
    isopentyl acetate 1.09
    trichloroethylene 3.31
    n-nonanol 2.9
    cyclohexanol 2.97
    benzyl alcohol 3.15
    2-ethylhexanol 0.51
    isooctanol 1.29
    dipropyl ether 3.01
    1,2-dichlorobenzene 0.2
    ethyl lactate 6.73
    propylene carbonate 10.37
    n-methylformamide 57.5
    2-pentanol 2.2
    n-pentane 0.09
    1-propoxy-2-propanol 16.27
    1-methoxy-2-propyl acetate 9.05
    2-(2-methoxypropoxy) propanol 11.35
    mesitylene 0.18
    ε-caprolactone 13.64
    p-cymene 0.2
    epichlorohydrin 29.36
    1,1,1-trichloroethane 0.53
    2-aminoethanol 36.13
    morpholine-4-carbaldehyde 128.76
    sulfolane 74.8
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 16.01
    n-hexyl acetate 3.91
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 21.07
    sec-butyl acetate 1.5
    tert-butyl acetate 3.84
    decalin 0.03
    glycerin 96.83
    diglyme 41.0
    acrylic acid 32.18
    isopropyl myristate 1.31
    n-butyric acid 10.11
    acetyl acetate 5.61
    di(2-ethylhexyl) phthalate 1.24
    ethyl propionate 3.79
    nitromethane 125.22
    1,2-diethoxyethane 8.9
    benzonitrile 1.17
    trioctyl phosphate 1.35
    1-bromopropane 0.55
    gamma-valerolactone 94.89
    n-decanol 1.94
    triethyl phosphate 1.29
    4-methyl-2-pentanol 0.69
    propionitrile 3.27
    vinylene carbonate 9.01
    1,1,2-trichlorotrifluoroethane 43.36
    DMS 5.56
    cumene 0.12
    2-octanol 1.63
    2-hexanone 2.46
    octyl acetate 2.64
    limonene 0.32
    1,2-dimethoxyethane 43.47
    ethyl orthosilicate 1.19
    tributyl phosphate 1.02
    diacetone alcohol 13.14
    N,N-dimethylaniline 1.57
    acrylonitrile 6.73
    aniline 3.43
    1,3-propanediol 34.49
    bromobenzene 0.19
    dibromomethane 0.58
    1,1,2,2-tetrachloroethane 2.75
    2-methyl-cyclohexyl acetate 1.02
    tetrabutyl urea 2.94
    diisobutyl methanol 0.37
    2-phenylethanol 1.75
    styrene 0.32
    dioctyl adipate 2.57
    dimethyl sulfate 37.76
    ethyl butyrate 2.27
    methyl lactate 31.36
    butyl lactate 5.41
    diethyl carbonate 1.59
    propanediol butyl ether 20.91
    triethyl orthoformate 2.7
    p-tert-butyltoluene 0.23
    methyl 4-tert-butylbenzoate 4.74
    morpholine 63.09
    tert-butylamine 1.46
    n-dodecanol 1.28
    dimethoxymethane 73.11
    ethylene carbonate 6.93
    cyrene 14.46
    2-ethoxyethyl acetate 10.23
    2-ethylhexyl acetate 0.79
    1,2,4-trichlorobenzene 0.51
    4-methylpyridine 6.16
    dibutyl ether 2.11
    2,6-dimethyl-4-heptanol 0.37
    DEF 18.31
    dimethyl isosorbide 12.7
    tetrachloroethylene 1.76
    eugenol 4.73
    triacetin 8.09
    span 80 11.1
    1,4-butanediol 10.42
    1,1-dichloroethane 0.93
    2-methyl-1-pentanol 0.82
    methyl formate 42.27
    2-methyl-1-butanol 1.92
    n-decane 0.18
    butyronitrile 1.86
    3,7-dimethyl-1-octanol 0.91
    1-chlorooctane 0.53
    1-chlorotetradecane 0.21
    n-nonane 0.16
    undecane 0.12
    tert-butylcyclohexane 0.02
    cyclooctane 0.07
    cyclopentanol 8.11
    tetrahydropyran 11.15
    tert-amyl methyl ether 3.18
    2,5,8-trioxanonane 26.01
    1-hexene 0.17
    2-isopropoxyethanol 17.96
    2,2,2-trifluoroethanol 32.89
    methyl butyrate 4.42

    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