Helichrysoside

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  • Identifiers

    CAS number
    56343-26-1

    Molecular formula
    C30H26O14

    SMILES
    C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O

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  • Odor profile

    Fragrance
    Odorless 77.55%
    Phenolic 31.36%
    Vanilla 24.4%
    Savory 23.19%
    Burnt 23.04%
    Balsamic 20.62%
    Milky 20.32%
    Spicy 20.05%
    Bitter 18.99%
    Smoky 17.45%

     

    Flavor
    Bitter 89.83%
    Odorless 37.04%
    Bland 32.84%
    Sweet-like 23.71%
    Cedarleaf 19.91%
    Lovage 19.62%
    Very mild 19.49%
    Parsley 19.49%
    Nitrile 19.09%
    Ethyl benzoate 18.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.67 (weak base)

    Molecular weight
    610.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3998°C

    Flash point

    • 318.52 ˚C est.

  • Synonyms

    • Helichrysoside
    • 56343-26-1
    • RefChem:922773
    • ((2R,3S,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
    • [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
    • CHEMBL437553
    • orb1680618
    • SCHEMBL30637476
    • AKOS040763181
    • quercetin-3-O-(6''-p-coumaroyl)-glucoside
    • quercetin-3-O-D-(6''-coumaroyl)-glucoside
    • quercetin 3-O-(6"-O-p-coumaroyl)-glucoside
    • quercetin-3-O-(6''-O-trans-p-coumaroyl)-beta-D-glucopyranoside
    • 56343-26-1

  • Applications

    Helichrysoside (CAS 56343-26-1) is a natural glycoside of plant origin; in practical applications it may be used as an intermediate in organic synthesis; it may serve as a fragrance ingredient or aroma precursor in perfumery and flavor industries; in cosmetics and personal care it may be explored as a fragrance component or stabilizing additive; in household cleaning products it can function as an odorant component in formulations; in industrial manufacturing and polymer materials it may act as a specialty additive or precursor for functional polymer systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.22
    methanol 16.83
    isopropanol 14.4
    water 0.1
    ethyl acetate 2.25
    n-propanol 21.19
    acetone 20.48
    n-butanol 6.57
    acetonitrile 1.98
    DMF 96.3
    toluene 0.32
    isobutanol 5.3
    1,4-dioxane 28.78
    methyl acetate 7.82
    THF 88.9
    2-butanone 17.01
    n-pentanol 3.19
    sec-butanol 10.58
    n-hexane 0.02
    ethylene glycol 34.19
    NMP 66.55
    cyclohexane 0.04
    DMSO 252.34
    n-butyl acetate 0.5
    n-octanol 1.24
    chloroform 0.35
    n-propyl acetate 0.94
    acetic acid 53.98
    dichloromethane 0.52
    cyclohexanone 9.51
    propylene glycol 63.25
    isopropyl acetate 1.03
    DMAc 104.23
    2-ethoxyethanol 42.17
    isopentanol 1.9
    n-heptane 0.04
    ethyl formate 3.7
    1,2-dichloroethane 0.74
    n-hexanol 0.79
    2-methoxyethanol 118.9
    isobutyl acetate 0.25
    tetrachloromethane 0.04
    n-pentyl acetate 1.12
    transcutol 37.22
    n-heptanol 1.16
    ethylbenzene 0.07
    MIBK 0.95
    2-propoxyethanol 15.67
    tert-butanol 5.04
    MTBE 1.6
    2-butoxyethanol 9.35
    propionic acid 17.28
    o-xylene 0.14
    formic acid 42.58
    diethyl ether 2.7
    m-xylene 0.11
    p-xylene 0.07
    chlorobenzene 0.09
    dimethyl carbonate 4.67
    n-octane 0.02
    formamide 48.8
    cyclopentanone 32.92
    2-pentanone 5.11
    anisole 0.66
    cyclopentyl methyl ether 3.85
    gamma-butyrolactone 35.78
    1-methoxy-2-propanol 65.53
    pyridine 10.08
    3-pentanone 3.05
    furfural 16.39
    n-dodecane 0.02
    diethylene glycol 23.38
    diisopropyl ether 0.16
    tert-amyl alcohol 3.94
    acetylacetone 7.02
    n-hexadecane 0.02
    acetophenone 0.8
    methyl propionate 6.05
    isopentyl acetate 0.31
    trichloroethylene 1.17
    n-nonanol 1.27
    cyclohexanol 2.86
    benzyl alcohol 1.77
    2-ethylhexanol 0.23
    isooctanol 0.6
    dipropyl ether 1.04
    1,2-dichlorobenzene 0.05
    ethyl lactate 2.3
    propylene carbonate 3.46
    n-methylformamide 41.49
    2-pentanol 2.52
    n-pentane 0.04
    1-propoxy-2-propanol 8.41
    1-methoxy-2-propyl acetate 2.33
    2-(2-methoxypropoxy) propanol 7.2
    mesitylene 0.04
    ε-caprolactone 9.1
    p-cymene 0.04
    epichlorohydrin 23.98
    1,1,1-trichloroethane 0.13
    2-aminoethanol 46.4
    morpholine-4-carbaldehyde 69.37
    sulfolane 60.59
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 12.98
    n-hexyl acetate 1.26
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 13.33
    sec-butyl acetate 0.38
    tert-butyl acetate 0.9
    decalin 0.01
    glycerin 107.99
    diglyme 21.11
    acrylic acid 21.68
    isopropyl myristate 0.38
    n-butyric acid 7.1
    acetyl acetate 0.95
    di(2-ethylhexyl) phthalate 0.46
    ethyl propionate 0.81
    nitromethane 56.48
    1,2-diethoxyethane 3.7
    benzonitrile 0.41
    trioctyl phosphate 0.44
    1-bromopropane 0.35
    gamma-valerolactone 82.4
    n-decanol 0.82
    triethyl phosphate 0.25
    4-methyl-2-pentanol 0.43
    propionitrile 1.74
    vinylene carbonate 2.81
    1,1,2-trichlorotrifluoroethane 29.1
    DMS 1.16
    cumene 0.03
    2-octanol 0.67
    2-hexanone 1.62
    octyl acetate 0.83
    limonene 0.07
    1,2-dimethoxyethane 25.35
    ethyl orthosilicate 0.25
    tributyl phosphate 0.36
    diacetone alcohol 7.12
    N,N-dimethylaniline 0.39
    acrylonitrile 3.39
    aniline 1.69
    1,3-propanediol 43.58
    bromobenzene 0.05
    dibromomethane 0.23
    1,1,2,2-tetrachloroethane 1.16
    2-methyl-cyclohexyl acetate 0.28
    tetrabutyl urea 1.01
    diisobutyl methanol 0.13
    2-phenylethanol 0.62
    styrene 0.08
    dioctyl adipate 0.94
    dimethyl sulfate 9.97
    ethyl butyrate 0.49
    methyl lactate 14.04
    butyl lactate 2.43
    diethyl carbonate 0.25
    propanediol butyl ether 13.98
    triethyl orthoformate 0.65
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 1.41
    morpholine 58.42
    tert-butylamine 0.78
    n-dodecanol 0.5
    dimethoxymethane 36.46
    ethylene carbonate 2.11
    cyrene 9.65
    2-ethoxyethyl acetate 3.32
    2-ethylhexyl acetate 0.19
    1,2,4-trichlorobenzene 0.13
    4-methylpyridine 2.87
    dibutyl ether 0.77
    2,6-dimethyl-4-heptanol 0.13
    DEF 8.36
    dimethyl isosorbide 6.03
    tetrachloroethylene 0.59
    eugenol 1.88
    triacetin 2.46
    span 80 6.95
    1,4-butanediol 11.31
    1,1-dichloroethane 0.35
    2-methyl-1-pentanol 0.99
    methyl formate 25.6
    2-methyl-1-butanol 2.65
    n-decane 0.04
    butyronitrile 1.03
    3,7-dimethyl-1-octanol 0.44
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 11.86
    tetrahydropyran 11.35
    tert-amyl methyl ether 1.32
    2,5,8-trioxanonane 14.61
    1-hexene 0.1
    2-isopropoxyethanol 12.34
    2,2,2-trifluoroethanol 11.1
    methyl butyrate 1.34

    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