Echinacoside

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  • Identifiers

    CAS number
    82854-37-3

    Molecular formula
    C35H46O20

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.34%
    Vanilla 26.65%
    Savory 23.8%
    Sweet 22.36%
    Milky 21.19%
    Bitter 16.43%
    Burnt 16.09%
    Spicy 15.52%
    Creamy 15.43%
    Smoky 15.29%

     

    Flavor
    Bitter 68.48%
    Odorless 41.15%
    Bland 33.71%
    Sweet-like 29.8%
    Very mild 22.19%
    Cedarleaf 20.01%
    Very slight 19.72%
    Cauliflower 19.32%
    Parsley 19.25%
    Eugenol 19.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.1

    pKa est.
    6.37 (neutral)

    Molecular weight
    786.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6184°C

    Flash point

    • 239.05 ˚C est.

  • Synonyms

    • Echinacoside
    • 82854-37-3
    • I04O1DT48T
    • DTXSID0033469
    • DTXCID8013469
    • [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • ((2R,3R,4R,5R,6R)-6-(2-(3,4-dihydroxyphenyl)ethoxy)-5-hydroxy-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxymethyl)-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • RefChem:590551
    • beta-D-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-(beta-D-glucopyranosyl-(1->6))-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate)
    • MFCD00075695
    • [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • Echinacoside Ethanolate
    • (2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl 3-(3,4-dihydroxyphenyl)acrylate
    • C35H46O20
    • AC1NQZ1Q
    • UNII-I04O1DT48T
    • ss-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-a-L-mannopyranosyl-(1?3)-O-[ss-D-glucopyranosyl-(1?6)]-, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate]; Echinacoside
    • Echinacoside (Standard)
    • SureCN525502
    • DSSTox_CID_13469
    • ECHINACOSIDE [USP-RS]
    • Echinacoside, 98% (HPLC)
    • SCHEMBL525502
    • CHEBI:4745
    • CHEMBL510539
    • MEGxp0_001773
    • orb1307649
    • Echinacoside, analytical standard
    • HY-N0020R
    • HMS3885K04
    • HMS6018I11
    • HY-N0020
    • MSK40103
    • Tox21_200945
    • s3783
    • AKOS015897141
    • CCG-270479
    • CS-3400
    • DB15488
    • EBC-519381
    • OE08287
    • NCGC00091915-01
    • NCGC00091915-02
    • NCGC00258498-01
    • (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • 737806-07-4
    • AC-34699
    • AS-56376
    • DA-72996
    • Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), beta-D-
    • SY068890
    • CAS-82854-37-3
    • NS00121415
    • 854E373
    • Q475631
    • Echinacoside, primary pharmaceutical reference standard
    • Echinacoside, United States Pharmacopeia (USP) Reference Standard
    • .BETA.-D-GLUCOPYRANOSIDE, 2-(3,4-DIHYDROXYPHENYL)ETHYL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->3)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-, 4-(3-(3,4-DIHYDROXYPHENYL)-2-PROPENOATE)
    • [(2r,3r,4r,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-oxan-2-yl]oxymethyl]-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl](e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • 2-(3,4-Dihydroxyphenyl)ethyl 4-(3-(3,4-dihydroxyphenyl)-2-propenoate)-3-O-(b-D-glucopyranose)-6-O-(a-L-rhamnopyranose)-b-D-glucopyra noside
    • 2-(3,4-Dihydroxyphenyl)ethyl 6-deoxy-alpha-L-mannopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->6)]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
    • 82854-37-3

  • Applications

    Echinacoside (CAS 82854-37-3) is a phenylethanoid glycoside occurring in plants such as Echinacea and Cistanche. In cosmetics and personal care, it is studied as a natural antioxidant and botanical extract for use in skin-care formulations. In pharmaceutical research, echinacoside is the subject of preclinical studies as a bioactive natural product with various pharmacological activities. In nutraceuticals/dietary supplements, it may be used as a botanical ingredient derived from traditional medicinal plants, evaluated for inclusion in supplement products subject to regulatory requirements. These applications reflect formulation considerations and the need to comply with local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.68
    methanol 25.83
    isopropanol 3.15
    water 0.63
    ethyl acetate 2.31
    n-propanol 5.31
    acetone 8.23
    n-butanol 3.28
    acetonitrile 1.67
    DMF 45.2
    toluene 0.5
    isobutanol 1.49
    1,4-dioxane 15.85
    methyl acetate 3.32
    THF 32.42
    2-butanone 4.95
    n-pentanol 1.37
    sec-butanol 2.24
    n-hexane 0.02
    ethylene glycol 17.16
    NMP 31.9
    cyclohexane 0.06
    DMSO 127.03
    n-butyl acetate 0.42
    n-octanol 1.32
    chloroform 0.95
    n-propyl acetate 0.63
    acetic acid 27.36
    dichloromethane 1.3
    cyclohexanone 5.3
    propylene glycol 16.45
    isopropyl acetate 1.07
    DMAc 38.11
    2-ethoxyethanol 17.81
    isopentanol 1.11
    n-heptane 0.07
    ethyl formate 3.31
    1,2-dichloroethane 1.1
    n-hexanol 0.63
    2-methoxyethanol 53.46
    isobutyl acetate 0.2
    tetrachloromethane 0.15
    n-pentyl acetate 1.31
    transcutol 21.07
    n-heptanol 1.27
    ethylbenzene 0.13
    MIBK 0.94
    2-propoxyethanol 8.14
    tert-butanol 1.32
    MTBE 0.78
    2-butoxyethanol 6.49
    propionic acid 5.29
    o-xylene 0.3
    formic acid 43.31
    diethyl ether 1.99
    m-xylene 0.26
    p-xylene 0.11
    chlorobenzene 0.23
    dimethyl carbonate 5.3
    n-octane 0.06
    formamide 38.05
    cyclopentanone 12.44
    2-pentanone 3.5
    anisole 0.76
    cyclopentyl methyl ether 3.29
    gamma-butyrolactone 14.34
    1-methoxy-2-propanol 25.27
    pyridine 5.12
    3-pentanone 2.14
    furfural 12.16
    n-dodecane 0.04
    diethylene glycol 13.92
    diisopropyl ether 0.2
    tert-amyl alcohol 1.23
    acetylacetone 6.76
    n-hexadecane 0.04
    acetophenone 1.01
    methyl propionate 4.32
    isopentyl acetate 0.27
    trichloroethylene 1.84
    n-nonanol 1.32
    cyclohexanol 1.75
    benzyl alcohol 1.64
    2-ethylhexanol 0.26
    isooctanol 0.62
    dipropyl ether 0.85
    1,2-dichlorobenzene 0.19
    ethyl lactate 1.82
    propylene carbonate 2.61
    n-methylformamide 22.71
    2-pentanol 1.24
    n-pentane 0.05
    1-propoxy-2-propanol 4.35
    1-methoxy-2-propyl acetate 1.95
    2-(2-methoxypropoxy) propanol 4.24
    mesitylene 0.12
    ε-caprolactone 5.08
    p-cymene 0.09
    epichlorohydrin 11.41
    1,1,1-trichloroethane 0.25
    2-aminoethanol 16.06
    morpholine-4-carbaldehyde 38.56
    sulfolane 30.26
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 4.6
    n-hexyl acetate 1.43
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.22
    sec-butyl acetate 0.31
    tert-butyl acetate 0.87
    decalin 0.02
    glycerin 40.74
    diglyme 14.01
    acrylic acid 8.92
    isopropyl myristate 0.44
    n-butyric acid 5.01
    acetyl acetate 1.56
    di(2-ethylhexyl) phthalate 0.59
    ethyl propionate 0.77
    nitromethane 32.32
    1,2-diethoxyethane 2.89
    benzonitrile 0.56
    trioctyl phosphate 0.55
    1-bromopropane 0.42
    gamma-valerolactone 34.6
    n-decanol 0.84
    triethyl phosphate 0.34
    4-methyl-2-pentanol 0.37
    propionitrile 1.06
    vinylene carbonate 3.03
    1,1,2-trichlorotrifluoroethane 17.82
    DMS 1.4
    cumene 0.07
    2-octanol 0.76
    2-hexanone 0.89
    octyl acetate 0.9
    limonene 0.16
    1,2-dimethoxyethane 12.72
    ethyl orthosilicate 0.34
    tributyl phosphate 0.41
    diacetone alcohol 4.15
    N,N-dimethylaniline 0.63
    acrylonitrile 2.21
    aniline 1.55
    1,3-propanediol 19.24
    bromobenzene 0.15
    dibromomethane 0.52
    1,1,2,2-tetrachloroethane 1.76
    2-methyl-cyclohexyl acetate 0.31
    tetrabutyl urea 0.95
    diisobutyl methanol 0.16
    2-phenylethanol 0.81
    styrene 0.16
    dioctyl adipate 0.92
    dimethyl sulfate 11.18
    ethyl butyrate 0.52
    methyl lactate 9.98
    butyl lactate 2.26
    diethyl carbonate 0.3
    propanediol butyl ether 9.01
    triethyl orthoformate 0.61
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 2.13
    morpholine 21.04
    tert-butylamine 0.33
    n-dodecanol 0.51
    dimethoxymethane 26.87
    ethylene carbonate 2.14
    cyrene 7.15
    2-ethoxyethyl acetate 3.43
    2-ethylhexyl acetate 0.2
    1,2,4-trichlorobenzene 0.33
    4-methylpyridine 2.33
    dibutyl ether 0.75
    2,6-dimethyl-4-heptanol 0.16
    DEF 6.88
    dimethyl isosorbide 4.75
    tetrachloroethylene 1.19
    eugenol 2.36
    triacetin 2.67
    span 80 4.64
    1,4-butanediol 5.44
    1,1-dichloroethane 0.49
    2-methyl-1-pentanol 0.58
    methyl formate 17.35
    2-methyl-1-butanol 1.27
    n-decane 0.08
    butyronitrile 0.99
    3,7-dimethyl-1-octanol 0.44
    1-chlorooctane 0.29
    1-chlorotetradecane 0.09
    n-nonane 0.08
    undecane 0.05
    tert-butylcyclohexane 0.01
    cyclooctane 0.03
    cyclopentanol 3.5
    tetrahydropyran 4.56
    tert-amyl methyl ether 0.94
    2,5,8-trioxanonane 9.63
    1-hexene 0.09
    2-isopropoxyethanol 5.3
    2,2,2-trifluoroethanol 9.42
    methyl butyrate 1.07

    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