Epigallocatechin gallatyl glucoside

Overview IFRA Request a quote

  • Identifiers

    CAS number
    161802-03-5

    Molecular formula
    C28H28O16

    SMILES
    C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 83.24%
    Phenolic 29.65%
    Vanilla 19.3%
    Burnt 19.23%
    Savory 18.94%
    Smoky 17.08%
    Balsamic 16.78%
    Milky 16.56%
    Bitter 14.43%
    Spicy 14.36%

     

    Flavor
    Bitter 82.56%
    Odorless 37.58%
    Bland 36.92%
    Sweet-like 26.72%
    Very mild 20.82%
    Cedarleaf 20.2%
    Parsley 19.5%
    Eugenol 19.43%
    Lovage 19.02%
    Nitrile 18.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.96 (weak base)

    Molecular weight
    620.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5275°C

    Flash point

    • 307.82 ˚C est.

  • Synonyms

    • Inoveol egcg
    • AR8RR3M6N9
    • Epigallocatechin gallatyl glucoside
    • 161802-03-5
    • 4-((2R,3R)-3,4-Dihydro-5,7-dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-2H-1-benzopyran-2-yl)-2,6-dihydroxyphenyl alpha-D-glucopyranoside
    • alpha-D-Glucopyranoside, 4-((2R,3R)-3,4-dihydro-5,7-dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-2H-1-benzopyran-2-yl)-2,6-dihydroxyphenyl-
    • alpha-D-Glucopyranoside, 4-(3,4-dihydro-5,7-dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-2H-1-benzopyran-2-yl)-2,6-dihydroxyphenyl, (2R-cis)-
    • RefChem:1084146
    • UNII-AR8RR3M6N9
    • SCHEMBL29531312
    • Epigallocatechin gallatyl glucoside [INCI]
    • (2R,3R)-2-(3,5-dihydroxy-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate
    • .ALPHA.-D-GLUCOPYRANOSIDE, 4-((2R,3R)-3,4-DIHYDRO-5,7-DIHYDROXY-3-((3,4,5-TRIHYDROXYBENZOYL)OXY)-2H-1-BENZOPYRAN-2-YL)-2,6-DIHYDROXYPHENYL-
    • .ALPHA.-D-GLUCOPYRANOSIDE, 4-(3,4-DIHYDRO-5,7-DIHYDROXY-3-((3,4,5-TRIHYDROXYBENZOYL)OXY)-2H-1-BENZOPYRAN-2-YL)-2,6-DIHYDROXYPHENYL, (2R-CIS)-
    • 4-((2R,3R)-3,4-DIHYDRO-5,7-DIHYDROXY-3-((3,4,5-TRIHYDROXYBENZOYL)OXY)-2H-1-BENZOPYRAN-2-YL)-2,6-DIHYDROXYPHENYL .ALPHA.-D-GLUCOPYRANOSIDE
    • 161802-03-5

  • Applications

    Epigallocatechin gallatyl glucoside (CAS 161802-03-5) is a glycosylated polyphenol with antioxidant properties; in practice it is often evaluated for or used as: an antioxidant and formulation stabilizer in cosmetics and personal care; a natural antioxidant additive for food processing and beverages to help preserve quality; a pharmaceutical or nutraceutical intermediate or formulation aid to improve stability and shelf life; a stabilizer and antioxidant additive in polymers and plastics as well as in coatings and inks; and exploratory agricultural applications as a plant-derived polyphenol constituent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.57
    methanol 6.03
    isopropanol 0.98
    water 0.15
    ethyl acetate 2.15
    n-propanol 2.47
    acetone 3.76
    n-butanol 1.23
    acetonitrile 1.21
    DMF 64.01
    toluene 0.16
    isobutanol 0.6
    1,4-dioxane 13.04
    methyl acetate 3.47
    THF 18.82
    2-butanone 3.9
    n-pentanol 0.39
    sec-butanol 1.11
    n-hexane 0.0
    ethylene glycol 14.92
    NMP 45.64
    cyclohexane 0.01
    DMSO 87.97
    n-butyl acetate 0.36
    n-octanol 0.83
    chloroform 0.25
    n-propyl acetate 0.55
    acetic acid 27.64
    dichloromethane 0.37
    cyclohexanone 3.06
    propylene glycol 19.87
    isopropyl acetate 0.8
    DMAc 62.14
    2-ethoxyethanol 29.09
    isopentanol 0.45
    n-heptane 0.01
    ethyl formate 3.11
    1,2-dichloroethane 0.36
    n-hexanol 0.18
    2-methoxyethanol 96.34
    isobutyl acetate 0.13
    tetrachloromethane 0.03
    n-pentyl acetate 0.96
    transcutol 31.78
    n-heptanol 0.68
    ethylbenzene 0.04
    MIBK 0.44
    2-propoxyethanol 11.26
    tert-butanol 0.59
    MTBE 0.44
    2-butoxyethanol 7.8
    propionic acid 6.35
    o-xylene 0.1
    formic acid 45.33
    diethyl ether 0.79
    m-xylene 0.07
    p-xylene 0.03
    chlorobenzene 0.07
    dimethyl carbonate 5.93
    n-octane 0.01
    formamide 43.44
    cyclopentanone 9.35
    2-pentanone 1.84
    anisole 0.52
    cyclopentyl methyl ether 1.59
    gamma-butyrolactone 16.86
    1-methoxy-2-propanol 41.01
    pyridine 4.2
    3-pentanone 1.37
    furfural 16.11
    n-dodecane 0.01
    diethylene glycol 21.02
    diisopropyl ether 0.07
    tert-amyl alcohol 0.7
    acetylacetone 5.57
    n-hexadecane 0.01
    acetophenone 0.63
    methyl propionate 4.49
    isopentyl acetate 0.22
    trichloroethylene 0.87
    n-nonanol 0.84
    cyclohexanol 0.6
    benzyl alcohol 0.93
    2-ethylhexanol 0.11
    isooctanol 0.35
    dipropyl ether 0.56
    1,2-dichlorobenzene 0.06
    ethyl lactate 2.37
    propylene carbonate 2.7
    n-methylformamide 26.39
    2-pentanol 0.42
    n-pentane 0.01
    1-propoxy-2-propanol 5.89
    1-methoxy-2-propyl acetate 2.69
    2-(2-methoxypropoxy) propanol 6.12
    mesitylene 0.03
    ε-caprolactone 4.82
    p-cymene 0.04
    epichlorohydrin 11.64
    1,1,1-trichloroethane 0.09
    2-aminoethanol 15.94
    morpholine-4-carbaldehyde 68.54
    sulfolane 31.61
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 2.92
    n-hexyl acetate 1.2
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 11.23
    sec-butyl acetate 0.23
    tert-butyl acetate 0.77
    decalin 0.0
    glycerin 74.92
    diglyme 23.25
    acrylic acid 11.49
    isopropyl myristate 0.32
    n-butyric acid 4.36
    acetyl acetate 1.38
    di(2-ethylhexyl) phthalate 0.46
    ethyl propionate 0.78
    nitromethane 48.65
    1,2-diethoxyethane 2.79
    benzonitrile 0.29
    trioctyl phosphate 0.44
    1-bromopropane 0.1
    gamma-valerolactone 55.87
    n-decanol 0.5
    triethyl phosphate 0.33
    4-methyl-2-pentanol 0.13
    propionitrile 0.8
    vinylene carbonate 2.95
    1,1,2-trichlorotrifluoroethane 26.07
    DMS 1.34
    cumene 0.02
    2-octanol 0.38
    2-hexanone 0.47
    octyl acetate 0.74
    limonene 0.06
    1,2-dimethoxyethane 19.68
    ethyl orthosilicate 0.31
    tributyl phosphate 0.33
    diacetone alcohol 4.58
    N,N-dimethylaniline 0.32
    acrylonitrile 2.14
    aniline 0.79
    1,3-propanediol 17.83
    bromobenzene 0.04
    dibromomethane 0.11
    1,1,2,2-tetrachloroethane 0.75
    2-methyl-cyclohexyl acetate 0.22
    tetrabutyl urea 0.9
    diisobutyl methanol 0.08
    2-phenylethanol 0.4
    styrene 0.05
    dioctyl adipate 0.87
    dimethyl sulfate 12.59
    ethyl butyrate 0.57
    methyl lactate 15.08
    butyl lactate 2.18
    diethyl carbonate 0.32
    propanediol butyl ether 11.08
    triethyl orthoformate 0.71
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 1.82
    morpholine 21.89
    tert-butylamine 0.11
    n-dodecanol 0.29
    dimethoxymethane 30.1
    ethylene carbonate 2.0
    cyrene 8.33
    2-ethoxyethyl acetate 3.58
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.14
    4-methylpyridine 1.47
    dibutyl ether 0.5
    2,6-dimethyl-4-heptanol 0.08
    DEF 6.91
    dimethyl isosorbide 6.78
    tetrachloroethylene 0.43
    eugenol 2.43
    triacetin 3.05
    span 80 5.49
    1,4-butanediol 3.5
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 0.19
    methyl formate 19.92
    2-methyl-1-butanol 0.61
    n-decane 0.03
    butyronitrile 0.49
    3,7-dimethyl-1-octanol 0.27
    1-chlorooctane 0.11
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 1.51
    tetrahydropyran 2.18
    tert-amyl methyl ether 0.58
    2,5,8-trioxanonane 15.37
    1-hexene 0.01
    2-isopropoxyethanol 6.41
    2,2,2-trifluoroethanol 9.48
    methyl butyrate 1.09

    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