Ssioriside

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  • Identifiers

    CAS number
    126882-53-9

    Molecular formula
    C27H38O12

    SMILES
    COC1=CC(=CC(=C1O)OC)CC(CO)C(CC2=CC(=C(C(=C2)OC)O)OC)COC3C(C(C(CO3)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.23%
    Vanilla 39.68%
    Sweet 27.52%
    Balsamic 27.46%
    Spicy 27.06%
    Milky 25.09%
    Creamy 21.75%
    Warm 20.46%
    Savory 20.32%
    Smoky 20.31%

     

    Flavor
    Bitter 60.56%
    Bland 37.72%
    Odorless 35.26%
    Sweet-like 27.22%
    Mild 23.7%
    Parsley 21.07%
    Cedarleaf 20.88%
    Eugenol 20.87%
    Allspice 19.3%
    Ham 19.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.87 (weak base)

    Molecular weight
    554.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3547°C

    Flash point

    • 240.01 ˚C est.

  • Synonyms

    • Ssioriside
    • 126882-53-9
    • 2-[4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]oxane-3,4,5-triol
    • [(2R,3R)-4-(3,5-Dimethoxy-4-hydroxyphenyl)-3-(hydroxymethyl)-2-(3,5-dimethoxy-4-hydroxybenzyl)butyl]
    • SCHEMBL30453953
    • CHEBI:169215
    • BFA88253
    • 126882-53-9

  • Applications

    Ssioriside (CAS 126882-53-9) may function as an intermediate in chemical syntheses for pharmaceuticals and agrochemicals; it can also serve as a solvent or processing aid in industrial formulations. In perfumery and personal care, it could be used as an odorant or fragrance ingredient. In coatings, inks, and cleaning formulations, it may act as a processing additive, stabilizer, or chelating agent within formulations. In the polymers/plastics sector, it could be evaluated as an additive influencing material properties. Practical use depends on local regulations and formulation limits, and detailed technical and safety data should be consulted.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.87
    methanol 12.48
    isopropanol 3.52
    water 0.53
    ethyl acetate 2.66
    n-propanol 5.22
    acetone 8.93
    n-butanol 3.54
    acetonitrile 1.86
    DMF 18.57
    toluene 0.76
    isobutanol 2.16
    1,4-dioxane 12.08
    methyl acetate 3.22
    THF 23.53
    2-butanone 5.75
    n-pentanol 2.66
    sec-butanol 3.02
    n-hexane 0.08
    ethylene glycol 8.05
    NMP 24.34
    cyclohexane 0.26
    DMSO 103.26
    n-butyl acetate 0.78
    n-octanol 1.77
    chloroform 2.98
    n-propyl acetate 1.09
    acetic acid 22.6
    dichloromethane 3.18
    cyclohexanone 9.36
    propylene glycol 7.34
    isopropyl acetate 1.44
    DMAc 26.78
    2-ethoxyethanol 12.95
    isopentanol 1.88
    n-heptane 0.15
    ethyl formate 3.49
    1,2-dichloroethane 2.73
    n-hexanol 1.55
    2-methoxyethanol 22.44
    isobutyl acetate 0.5
    tetrachloromethane 0.67
    n-pentyl acetate 1.88
    transcutol 13.55
    n-heptanol 2.16
    ethylbenzene 0.34
    MIBK 1.62
    2-propoxyethanol 7.86
    tert-butanol 2.46
    MTBE 1.13
    2-butoxyethanol 6.55
    propionic acid 6.04
    o-xylene 0.62
    formic acid 25.06
    diethyl ether 2.35
    m-xylene 0.43
    p-xylene 0.35
    chlorobenzene 0.64
    dimethyl carbonate 3.96
    n-octane 0.13
    formamide 22.93
    cyclopentanone 14.19
    2-pentanone 4.05
    anisole 1.05
    cyclopentyl methyl ether 3.63
    gamma-butyrolactone 14.29
    1-methoxy-2-propanol 11.85
    pyridine 5.1
    3-pentanone 3.07
    furfural 10.96
    n-dodecane 0.08
    diethylene glycol 10.72
    diisopropyl ether 0.35
    tert-amyl alcohol 2.36
    acetylacetone 6.19
    n-hexadecane 0.08
    acetophenone 1.77
    methyl propionate 3.81
    isopentyl acetate 0.65
    trichloroethylene 4.45
    n-nonanol 1.79
    cyclohexanol 3.24
    benzyl alcohol 2.42
    2-ethylhexanol 0.7
    isooctanol 1.35
    dipropyl ether 1.08
    1,2-dichlorobenzene 0.61
    ethyl lactate 2.12
    propylene carbonate 3.98
    n-methylformamide 11.61
    2-pentanol 1.65
    n-pentane 0.15
    1-propoxy-2-propanol 4.01
    1-methoxy-2-propyl acetate 2.25
    2-(2-methoxypropoxy) propanol 4.5
    mesitylene 0.23
    ε-caprolactone 7.11
    p-cymene 0.27
    epichlorohydrin 11.97
    1,1,1-trichloroethane 1.06
    2-aminoethanol 9.02
    morpholine-4-carbaldehyde 19.22
    sulfolane 33.79
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 6.08
    n-hexyl acetate 1.95
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 7.14
    sec-butyl acetate 0.59
    tert-butyl acetate 1.38
    decalin 0.08
    glycerin 16.06
    diglyme 11.22
    acrylic acid 8.36
    isopropyl myristate 0.65
    n-butyric acid 5.28
    acetyl acetate 2.24
    di(2-ethylhexyl) phthalate 1.14
    ethyl propionate 1.18
    nitromethane 21.46
    1,2-diethoxyethane 2.96
    benzonitrile 1.1
    trioctyl phosphate 1.0
    1-bromopropane 1.06
    gamma-valerolactone 25.18
    n-decanol 1.19
    triethyl phosphate 0.79
    4-methyl-2-pentanol 0.71
    propionitrile 1.56
    vinylene carbonate 3.91
    1,1,2-trichlorotrifluoroethane 18.7
    DMS 1.93
    cumene 0.22
    2-octanol 1.18
    2-hexanone 1.73
    octyl acetate 1.18
    limonene 0.49
    1,2-dimethoxyethane 9.66
    ethyl orthosilicate 0.76
    tributyl phosphate 0.84
    diacetone alcohol 4.57
    N,N-dimethylaniline 0.87
    acrylonitrile 2.53
    aniline 2.01
    1,3-propanediol 11.09
    bromobenzene 0.46
    dibromomethane 1.9
    1,1,2,2-tetrachloroethane 4.31
    2-methyl-cyclohexyl acetate 0.89
    tetrabutyl urea 1.57
    diisobutyl methanol 0.39
    2-phenylethanol 1.64
    styrene 0.35
    dioctyl adipate 1.41
    dimethyl sulfate 9.21
    ethyl butyrate 0.83
    methyl lactate 6.79
    butyl lactate 2.6
    diethyl carbonate 0.59
    propanediol butyl ether 6.74
    triethyl orthoformate 0.96
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 2.97
    morpholine 14.17
    tert-butylamine 0.82
    n-dodecanol 0.77
    dimethoxymethane 13.06
    ethylene carbonate 3.24
    cyrene 7.6
    2-ethoxyethyl acetate 3.86
    2-ethylhexyl acetate 0.51
    1,2,4-trichlorobenzene 0.99
    4-methylpyridine 2.5
    dibutyl ether 0.94
    2,6-dimethyl-4-heptanol 0.39
    DEF 5.7
    dimethyl isosorbide 5.55
    tetrachloroethylene 3.44
    eugenol 3.02
    triacetin 3.26
    span 80 4.41
    1,4-butanediol 5.06
    1,1-dichloroethane 1.38
    2-methyl-1-pentanol 1.57
    methyl formate 10.03
    2-methyl-1-butanol 2.15
    n-decane 0.16
    butyronitrile 1.29
    3,7-dimethyl-1-octanol 0.87
    1-chlorooctane 0.54
    1-chlorotetradecane 0.2
    n-nonane 0.15
    undecane 0.11
    tert-butylcyclohexane 0.05
    cyclooctane 0.11
    cyclopentanol 4.92
    tetrahydropyran 5.65
    tert-amyl methyl ether 1.24
    2,5,8-trioxanonane 8.41
    1-hexene 0.3
    2-isopropoxyethanol 5.7
    2,2,2-trifluoroethanol 10.89
    methyl butyrate 1.64

    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