Corilagin

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  • Identifiers

    CAS number
    23094-69-1

    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)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 82.55%
    Phenolic 33.83%
    Burnt 24.29%
    Balsamic 17.79%
    Smoky 16.9%
    Savory 16.15%
    Spicy 14.91%
    Vanilla 14.85%
    Milky 14.37%
    Bitter 13.85%

     

    Flavor
    Bitter 86.26%
    Odorless 35.08%
    Bland 31.86%
    Sweet-like 24.66%
    Very mild 21.19%
    Cedarleaf 20.03%
    Eugenol 19.71%
    Lovage 19.6%
    Parsley 19.59%
    Nitrile 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    7.06 (neutral)

    Molecular weight
    634.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5828°C

    Flash point

    • 331.82 ˚C est.

  • Synonyms

    • Corilagin
    • 23094-69-1
    • CHEBI:3884
    • [(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate
    • DTXSID90865084
    • ((1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo(17.3.1.04,9.010,15)tricosa-4,6,8,10,12,14-hexaen-21-yl) 3,4,5-trihydroxybenzoate
    • (1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo(17.3.1.0^(4,9).0^(10,15))tricosa-4,6,8,10,12,14-hexaen-21-yl 3,4,5-trihydroxybenzoate
    • (1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaen-21-yl 3,4,5-trihydroxybenzoate
    • RefChem:919057
    • DTXCID00813536
    • 62LOS9TW6D
    • MFCD00238565
    • CHEMBL449392
    • 2088321-44-0
    • C27H22O18
    • corilagina
    • Corillagin
    • NP-004255
    • Corilagin, analytical standard
    • SCHEMBL329080
    • 1-O-Galloyl-3,6-hexahydroxydiphenol-D-glucopyranose
    • SCHEMBL29994662
    • DTXSID301104707
    • GLXC-20959
    • BDBM50242279
    • MSK168513
    • s9090
    • AKOS015896840
    • CCG-270295
    • MC11453
    • DA-62460
    • 094C691
    • Q909822
    • (beta-1-O-galloyl-3,6-(R)-hexahydroxydiphenoyl-d-glucose)
    • 1-O-galloyl-3,6-hexahydroxydiphenic acid-beta-D-glucopyranose
    • .beta.-D-Glucopyranose, cyclic 3,6-[(1R)-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-(3,4,5-trihydroxybenzoate)
    • 3-O,6-O-[carbonyl(4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl)carbonyl]-1-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
    • 6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4(9),5,7,10(15),11,13-hexaene
    • 6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene
    • Corilagin[(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate; Corillagin
    • I(2)-D-Glucopyranose, cyclic 3,6-(4,4a(2),5,5a(2),6,6a(2)-hexahydroxy[1,1a(2)-biphenyl]-2,2a(2)-dicarboxylate) 1-(3,4,5-trihydroxybenzoate)
    • 23094-69-1

  • Applications

    Corilagin (CAS 23094-69-1) is a hydrolyzable tannin that is primarily studied as a natural antioxidant and stabilizer for cosmetics and personal care formulations; it is also evaluated as a functional additive in coatings and inks to enhance photostability and oxidative resistance. In the materials arena, corilagin is considered as an antioxidant/stabilizer for plastics and polymers, helping mitigate oxidative degradation. Additionally, it serves as an intermediate in the synthesis of ellagitannin derivatives and is investigated in pharmaceutical and natural product research as a bioactive lead compound. Its use is typically defined by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.38
    methanol 17.79
    isopropanol 13.27
    water 0.99
    ethyl acetate 11.18
    n-propanol 12.97
    acetone 32.13
    n-butanol 5.4
    acetonitrile 7.29
    DMF 226.83
    toluene 1.27
    isobutanol 4.48
    1,4-dioxane 48.56
    methyl acetate 22.02
    THF 101.78
    2-butanone 19.22
    n-pentanol 3.2
    sec-butanol 8.04
    n-hexane 0.06
    ethylene glycol 53.09
    NMP 136.95
    cyclohexane 0.18
    DMSO 225.11
    n-butyl acetate 3.03
    n-octanol 3.91
    chloroform 1.62
    n-propyl acetate 4.68
    acetic acid 108.35
    dichloromethane 1.98
    cyclohexanone 12.06
    propylene glycol 54.82
    isopropyl acetate 5.64
    DMAc 185.23
    2-ethoxyethanol 65.74
    isopentanol 2.36
    n-heptane 0.18
    ethyl formate 9.72
    1,2-dichloroethane 2.15
    n-hexanol 1.77
    2-methoxyethanol 164.77
    isobutyl acetate 1.21
    tetrachloromethane 0.28
    n-pentyl acetate 4.66
    transcutol 54.49
    n-heptanol 3.39
    ethylbenzene 0.35
    MIBK 2.59
    2-propoxyethanol 32.26
    tert-butanol 9.1
    MTBE 4.94
    2-butoxyethanol 20.6
    propionic acid 29.84
    o-xylene 0.78
    formic acid 97.16
    diethyl ether 7.11
    m-xylene 0.57
    p-xylene 0.37
    chlorobenzene 0.4
    dimethyl carbonate 28.57
    n-octane 0.15
    formamide 123.72
    cyclopentanone 40.13
    2-pentanone 9.16
    anisole 2.74
    cyclopentyl methyl ether 12.05
    gamma-butyrolactone 71.82
    1-methoxy-2-propanol 100.88
    pyridine 18.92
    3-pentanone 6.93
    furfural 32.28
    n-dodecane 0.12
    diethylene glycol 49.07
    diisopropyl ether 0.97
    tert-amyl alcohol 6.45
    acetylacetone 23.28
    n-hexadecane 0.14
    acetophenone 3.37
    methyl propionate 20.53
    isopentyl acetate 1.63
    trichloroethylene 4.35
    n-nonanol 3.84
    cyclohexanol 4.44
    benzyl alcohol 4.25
    2-ethylhexanol 0.75
    isooctanol 1.89
    dipropyl ether 3.99
    1,2-dichlorobenzene 0.27
    ethyl lactate 8.34
    propylene carbonate 12.32
    n-methylformamide 77.99
    2-pentanol 3.33
    n-pentane 0.13
    1-propoxy-2-propanol 20.69
    1-methoxy-2-propyl acetate 11.75
    2-(2-methoxypropoxy) propanol 13.72
    mesitylene 0.27
    ε-caprolactone 17.23
    p-cymene 0.31
    epichlorohydrin 34.21
    1,1,1-trichloroethane 0.78
    2-aminoethanol 50.43
    morpholine-4-carbaldehyde 144.77
    sulfolane 95.56
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 20.46
    n-hexyl acetate 5.03
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 24.64
    sec-butyl acetate 2.09
    tert-butyl acetate 5.19
    decalin 0.04
    glycerin 127.63
    diglyme 46.22
    acrylic acid 42.15
    isopropyl myristate 1.78
    n-butyric acid 13.63
    acetyl acetate 7.24
    di(2-ethylhexyl) phthalate 1.66
    ethyl propionate 4.88
    nitromethane 153.5
    1,2-diethoxyethane 10.35
    benzonitrile 1.57
    trioctyl phosphate 1.88
    1-bromopropane 0.8
    gamma-valerolactone 112.98
    n-decanol 2.63
    triethyl phosphate 1.79
    4-methyl-2-pentanol 1.06
    propionitrile 4.59
    vinylene carbonate 11.2
    1,1,2-trichlorotrifluoroethane 48.8
    DMS 7.3
    cumene 0.17
    2-octanol 2.33
    2-hexanone 3.33
    octyl acetate 3.52
    limonene 0.49
    1,2-dimethoxyethane 49.85
    ethyl orthosilicate 1.67
    tributyl phosphate 1.45
    diacetone alcohol 17.96
    N,N-dimethylaniline 2.05
    acrylonitrile 9.08
    aniline 4.68
    1,3-propanediol 47.04
    bromobenzene 0.25
    dibromomethane 0.81
    1,1,2,2-tetrachloroethane 3.55
    2-methyl-cyclohexyl acetate 1.54
    tetrabutyl urea 3.86
    diisobutyl methanol 0.57
    2-phenylethanol 2.5
    styrene 0.45
    dioctyl adipate 3.25
    dimethyl sulfate 52.83
    ethyl butyrate 3.05
    methyl lactate 39.79
    butyl lactate 6.85
    diethyl carbonate 2.08
    propanediol butyl ether 25.08
    triethyl orthoformate 3.48
    p-tert-butyltoluene 0.35
    methyl 4-tert-butylbenzoate 5.92
    morpholine 75.64
    tert-butylamine 2.3
    n-dodecanol 1.77
    dimethoxymethane 94.39
    ethylene carbonate 8.7
    cyrene 17.07
    2-ethoxyethyl acetate 12.38
    2-ethylhexyl acetate 1.2
    1,2,4-trichlorobenzene 0.72
    4-methylpyridine 7.8
    dibutyl ether 2.65
    2,6-dimethyl-4-heptanol 0.57
    DEF 22.69
    dimethyl isosorbide 15.53
    tetrachloroethylene 2.3
    eugenol 6.04
    triacetin 9.46
    span 80 13.16
    1,4-butanediol 14.89
    1,1-dichloroethane 1.32
    2-methyl-1-pentanol 1.29
    methyl formate 52.45
    2-methyl-1-butanol 2.91
    n-decane 0.24
    butyronitrile 2.51
    3,7-dimethyl-1-octanol 1.31
    1-chlorooctane 0.74
    1-chlorotetradecane 0.29
    n-nonane 0.21
    undecane 0.16
    tert-butylcyclohexane 0.03
    cyclooctane 0.09
    cyclopentanol 11.88
    tetrahydropyran 15.21
    tert-amyl methyl ether 4.43
    2,5,8-trioxanonane 28.89
    1-hexene 0.25
    2-isopropoxyethanol 22.3
    2,2,2-trifluoroethanol 37.78
    methyl butyrate 5.59

    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