Scolymoside

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  • Identifiers

    CAS number
    20633-84-5

    Molecular formula
    C27H30O15

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.61%
    Vanilla 28.08%
    Phenolic 24.47%
    Savory 21.93%
    Burnt 20.85%
    Milky 20.69%
    Sweet 19.94%
    Smoky 18.48%
    Bitter 17.47%
    Creamy 16.86%

     

    Flavor
    Bitter 72.82%
    Odorless 35.69%
    Bland 32.99%
    Sweet-like 28.06%
    Very mild 20.16%
    Cedarleaf 20.08%
    Eugenol 19.37%
    Very slight 19.28%
    Parsley 19.17%
    Lovage 18.84%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    7.9 (neutral)

    Molecular weight
    594.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5230°C

    Flash point

    • 299.94 ˚C est.

  • Synonyms

    • LDM9NL7QUS
    • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
    • 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one
    • RefChem:154393
    • 7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)oxan-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one
    • Scolymoside
    • 20633-84-5
    • Luteolin-7-rutinoside
    • Luteolin 7-rutinoside
    • Luteolin 7-O-rutinoside
    • Scolimoside
    • Skolimoside
    • 7-Rutinosylluteolin
    • MLS002473221
    • luteolin-7-O-beta-rutinoside
    • SMR001397309
    • Luteolin-7-o-beta-D-rutinoside
    • 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • luteolin-O-rutinoside
    • UNII-LDM9NL7QUS
    • luteolin-7-O-beta-D-rutinose
    • orb1709233
    • CHEMBL1714943
    • SCHEMBL23870123
    • BDBM94850
    • cid_10461109
    • DTXSID201313731
    • HMS2205K19
    • EX-A6772
    • HY-N6647
    • AKOS040733634
    • DA-75164
    • FL158250
    • LUTEOLIN-7-O-.BETA.-D-RUTINOSIDE
    • MS-30557
    • CS-0066966
    • G60943
    • Luteolin 7-rutinoside, >=95% (LC/MS-ELSD)
    • SR-01000870981
    • SR-01000870981-2
    • Luteolin 7-o-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
    • LUTEOLIN 7-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSIDE
    • 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
    • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone
    • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
    • 2-[3,4-bis(oxidanyl)phenyl]-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
    • 4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-
    • 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-
    • 20633-84-5

  • Applications

    Scolymoside (CAS 20633-84-5) is a natural glycoside that may serve as an intermediate in organic synthesis and as a reference component when exploring plant-derived compounds. In cosmetics and personal care, it can function as a fragrance ingredient or plant-derived active component, and may be considered as a fragrance carrier or stability aid in formulations. In industrial synthesis, it can be used as a building block for more complex natural products or as a reference standard for structure-activity studies. It may also be evaluated for flavor and aroma applications in food processing, subject to safety assessments and local regulations. In pharmaceuticals and natural-product research, it can serve as a precursor or lead compound in discovery programs and optimization efforts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.46
    methanol 2.52
    isopropanol 0.12
    water 0.04
    ethyl acetate 0.01
    n-propanol 0.38
    acetone 0.08
    n-butanol 0.16
    acetonitrile 0.01
    DMF 3.99
    toluene 0.01
    isobutanol 0.09
    1,4-dioxane 0.68
    methyl acetate 0.04
    THF 0.99
    2-butanone 0.11
    n-pentanol 0.08
    sec-butanol 0.14
    n-hexane 0.0
    ethylene glycol 3.54
    NMP 3.84
    cyclohexane 0.0
    DMSO 7.53
    n-butyl acetate 0.01
    n-octanol 0.08
    chloroform 0.01
    n-propyl acetate 0.01
    acetic acid 1.01
    dichloromethane 0.01
    cyclohexanone 0.14
    propylene glycol 4.25
    isopropyl acetate 0.01
    DMAc 3.36
    2-ethoxyethanol 2.31
    isopentanol 0.05
    n-heptane 0.0
    ethyl formate 0.05
    1,2-dichloroethane 0.01
    n-hexanol 0.03
    2-methoxyethanol 10.34
    isobutyl acetate 0.0
    tetrachloromethane 0.0
    n-pentyl acetate 0.04
    transcutol 4.11
    n-heptanol 0.09
    ethylbenzene 0.0
    MIBK 0.01
    2-propoxyethanol 0.92
    tert-butanol 0.04
    MTBE 0.02
    2-butoxyethanol 1.19
    propionic acid 0.26
    o-xylene 0.0
    formic acid 5.42
    diethyl ether 0.03
    m-xylene 0.0
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.08
    n-octane 0.0
    formamide 3.38
    cyclopentanone 0.33
    2-pentanone 0.04
    anisole 0.01
    cyclopentyl methyl ether 0.07
    gamma-butyrolactone 0.38
    1-methoxy-2-propanol 2.87
    pyridine 0.14
    3-pentanone 0.03
    furfural 0.58
    n-dodecane 0.0
    diethylene glycol 2.29
    diisopropyl ether 0.0
    tert-amyl alcohol 0.06
    acetylacetone 0.06
    n-hexadecane 0.0
    acetophenone 0.02
    methyl propionate 0.05
    isopentyl acetate 0.01
    trichloroethylene 0.02
    n-nonanol 0.08
    cyclohexanol 0.07
    benzyl alcohol 0.06
    2-ethylhexanol 0.01
    isooctanol 0.04
    dipropyl ether 0.02
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.1
    propylene carbonate 0.06
    n-methylformamide 1.62
    2-pentanol 0.04
    n-pentane 0.0
    1-propoxy-2-propanol 0.41
    1-methoxy-2-propyl acetate 0.06
    2-(2-methoxypropoxy) propanol 0.83
    mesitylene 0.0
    ε-caprolactone 0.18
    p-cymene 0.0
    epichlorohydrin 0.33
    1,1,1-trichloroethane 0.0
    2-aminoethanol 3.66
    morpholine-4-carbaldehyde 5.77
    sulfolane 1.86
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.14
    n-hexyl acetate 0.06
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.71
    sec-butyl acetate 0.01
    tert-butyl acetate 0.01
    decalin 0.0
    glycerin 14.69
    diglyme 2.69
    acrylic acid 0.54
    isopropyl myristate 0.01
    n-butyric acid 0.13
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.04
    ethyl propionate 0.01
    nitromethane 0.69
    1,2-diethoxyethane 0.12
    benzonitrile 0.01
    trioctyl phosphate 0.03
    1-bromopropane 0.0
    gamma-valerolactone 2.9
    n-decanol 0.05
    triethyl phosphate 0.01
    4-methyl-2-pentanol 0.01
    propionitrile 0.02
    vinylene carbonate 0.07
    1,1,2-trichlorotrifluoroethane 1.52
    DMS 0.03
    cumene 0.0
    2-octanol 0.04
    2-hexanone 0.02
    octyl acetate 0.03
    limonene 0.0
    1,2-dimethoxyethane 1.08
    ethyl orthosilicate 0.01
    tributyl phosphate 0.02
    diacetone alcohol 0.16
    N,N-dimethylaniline 0.01
    acrylonitrile 0.05
    aniline 0.03
    1,3-propanediol 2.92
    bromobenzene 0.0
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.01
    tetrabutyl urea 0.07
    diisobutyl methanol 0.01
    2-phenylethanol 0.02
    styrene 0.0
    dioctyl adipate 0.04
    dimethyl sulfate 0.25
    ethyl butyrate 0.01
    methyl lactate 0.55
    butyl lactate 0.19
    diethyl carbonate 0.01
    propanediol butyl ether 1.99
    triethyl orthoformate 0.03
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.11
    morpholine 1.7
    tert-butylamine 0.01
    n-dodecanol 0.02
    dimethoxymethane 1.04
    ethylene carbonate 0.04
    cyrene 1.06
    2-ethoxyethyl acetate 0.14
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.0
    4-methylpyridine 0.04
    dibutyl ether 0.03
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.17
    dimethyl isosorbide 0.59
    tetrachloroethylene 0.02
    eugenol 0.22
    triacetin 0.14
    span 80 0.8
    1,4-butanediol 0.63
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.03
    methyl formate 0.73
    2-methyl-1-butanol 0.08
    n-decane 0.0
    butyronitrile 0.01
    3,7-dimethyl-1-octanol 0.02
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.17
    tetrahydropyran 0.12
    tert-amyl methyl ether 0.02
    2,5,8-trioxanonane 1.85
    1-hexene 0.0
    2-isopropoxyethanol 0.44
    2,2,2-trifluoroethanol 0.32
    methyl butyrate 0.02

    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