Aginoside progenin

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  • Identifiers

    CAS number
    61478-53-3

    Molecular formula
    C39H64O15

    SMILES
    CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)O)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.6%
    Sweet 32.75%
    Woody 28.7%
    Cooling 25.77%
    Spicy 24.99%
    Mint 23.5%
    Vanilla 20.22%
    Balsamic 18.74%
    Warm 18.26%
    Milky 17.43%

     

    Flavor
    Sweet 44.08%
    Bitter 43.97%
    Fatty 41.19%
    Odorless 32.39%
    Sweet-like 27.96%
    Metallic 23.48%
    Cauliflower 22.23%
    Mentholic 21.52%
    Alkaline 21.51%
    Cedarleaf 21.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    3.44 (weak acid)

    Molecular weight
    772.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1602°C

    Melting point expt.

    • 249 - 251 °C

    Flash point

    • 242.91 ˚C est.

  • Synonyms

    • Aginoside progenin
    • DTXSID501120234
    • 61478-53-3
    • 2,6-Dihydroxyspirostan-3-yl 4-O-hexopyranosylhexopyranoside
    • I(2)-D-Galactopyranoside, (2I+/-,3I(2),5I+/-,6I(2),25R)-2,6-dihydroxyspirostan-3-yl 4-O-I(2)-D-glucopyranosyl-
    • 61478-53-3

  • Applications

    Aginoside progenin (CAS 61478-53-3) may be used as an intermediate in organic synthesis, with potential applications in pharmaceutical and agrochemical development; it is also being evaluated for fragrance chemistry and cosmetics/personal care formulations; it may be used as an additive in coatings/inks and in polymer/plastic systems; it could serve as a stabilizer or chelating agent in cleaning formulations and other industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.67
    methanol 16.11
    isopropanol 0.37
    water 0.46
    ethyl acetate 1.36
    n-propanol 0.74
    acetone 3.86
    n-butanol 0.36
    acetonitrile 1.28
    DMF 25.79
    toluene 0.39
    isobutanol 0.28
    1,4-dioxane 6.94
    methyl acetate 1.54
    THF 12.5
    2-butanone 1.57
    n-pentanol 0.39
    sec-butanol 0.21
    n-hexane 0.01
    ethylene glycol 4.49
    NMP 29.27
    cyclohexane 0.03
    DMSO 53.4
    n-butyl acetate 0.76
    n-octanol 0.71
    chloroform 1.92
    n-propyl acetate 0.87
    acetic acid 24.96
    dichloromethane 2.13
    cyclohexanone 3.26
    propylene glycol 1.98
    isopropyl acetate 0.94
    DMAc 20.99
    2-ethoxyethanol 6.86
    isopentanol 0.22
    n-heptane 0.03
    ethyl formate 1.98
    1,2-dichloroethane 1.07
    n-hexanol 0.38
    2-methoxyethanol 14.58
    isobutyl acetate 0.5
    tetrachloromethane 0.3
    n-pentyl acetate 1.86
    transcutol 14.46
    n-heptanol 0.84
    ethylbenzene 0.17
    MIBK 0.83
    2-propoxyethanol 6.57
    tert-butanol 0.26
    MTBE 0.24
    2-butoxyethanol 6.07
    propionic acid 2.04
    o-xylene 0.28
    formic acid 44.05
    diethyl ether 0.55
    m-xylene 0.31
    p-xylene 0.22
    chlorobenzene 0.53
    dimethyl carbonate 4.82
    n-octane 0.02
    formamide 29.77
    cyclopentanone 7.78
    2-pentanone 1.33
    anisole 0.94
    cyclopentyl methyl ether 1.86
    gamma-butyrolactone 11.87
    1-methoxy-2-propanol 5.96
    pyridine 3.75
    3-pentanone 1.08
    furfural 17.38
    n-dodecane 0.02
    diethylene glycol 10.57
    diisopropyl ether 0.13
    tert-amyl alcohol 0.2
    acetylacetone 6.42
    n-hexadecane 0.02
    acetophenone 1.89
    methyl propionate 2.15
    isopentyl acetate 0.64
    trichloroethylene 3.54
    n-nonanol 0.75
    cyclohexanol 0.33
    benzyl alcohol 1.4
    2-ethylhexanol 0.22
    isooctanol 0.52
    dipropyl ether 0.56
    1,2-dichlorobenzene 0.6
    ethyl lactate 1.75
    propylene carbonate 3.96
    n-methylformamide 12.85
    2-pentanol 0.15
    n-pentane 0.01
    1-propoxy-2-propanol 3.04
    1-methoxy-2-propyl acetate 3.26
    2-(2-methoxypropoxy) propanol 3.92
    mesitylene 0.17
    ε-caprolactone 3.52
    p-cymene 0.2
    epichlorohydrin 9.47
    1,1,1-trichloroethane 0.52
    2-aminoethanol 3.91
    morpholine-4-carbaldehyde 32.15
    sulfolane 32.33
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.66
    n-hexyl acetate 1.8
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.82
    sec-butyl acetate 0.46
    tert-butyl acetate 1.02
    decalin 0.02
    glycerin 10.02
    diglyme 13.63
    acrylic acid 5.68
    isopropyl myristate 0.46
    n-butyric acid 1.85
    acetyl acetate 2.71
    di(2-ethylhexyl) phthalate 1.11
    ethyl propionate 0.79
    nitromethane 34.57
    1,2-diethoxyethane 2.11
    benzonitrile 1.16
    trioctyl phosphate 0.73
    1-bromopropane 0.22
    gamma-valerolactone 28.5
    n-decanol 0.43
    triethyl phosphate 0.64
    4-methyl-2-pentanol 0.13
    propionitrile 0.53
    vinylene carbonate 5.73
    1,1,2-trichlorotrifluoroethane 18.71
    DMS 2.15
    cumene 0.13
    2-octanol 0.37
    2-hexanone 0.83
    octyl acetate 0.93
    limonene 0.23
    1,2-dimethoxyethane 7.01
    ethyl orthosilicate 0.55
    tributyl phosphate 0.56
    diacetone alcohol 2.55
    N,N-dimethylaniline 0.78
    acrylonitrile 1.62
    aniline 0.83
    1,3-propanediol 3.02
    bromobenzene 0.45
    dibromomethane 0.82
    1,1,2,2-tetrachloroethane 2.05
    2-methyl-cyclohexyl acetate 0.81
    tetrabutyl urea 1.1
    diisobutyl methanol 0.14
    2-phenylethanol 1.41
    styrene 0.22
    dioctyl adipate 1.25
    dimethyl sulfate 12.34
    ethyl butyrate 0.74
    methyl lactate 5.37
    butyl lactate 2.51
    diethyl carbonate 0.51
    propanediol butyl ether 6.06
    triethyl orthoformate 0.85
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 3.63
    morpholine 6.2
    tert-butylamine 0.07
    n-dodecanol 0.25
    dimethoxymethane 13.62
    ethylene carbonate 3.21
    cyrene 9.32
    2-ethoxyethyl acetate 5.35
    2-ethylhexyl acetate 0.51
    1,2,4-trichlorobenzene 0.95
    4-methylpyridine 1.91
    dibutyl ether 0.38
    2,6-dimethyl-4-heptanol 0.14
    DEF 3.03
    dimethyl isosorbide 8.49
    tetrachloroethylene 2.0
    eugenol 4.18
    triacetin 4.74
    span 80 4.2
    1,4-butanediol 1.61
    1,1-dichloroethane 0.49
    2-methyl-1-pentanol 0.22
    methyl formate 13.2
    2-methyl-1-butanol 0.21
    n-decane 0.04
    butyronitrile 0.39
    3,7-dimethyl-1-octanol 0.35
    1-chlorooctane 0.2
    1-chlorotetradecane 0.06
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.7
    tetrahydropyran 1.34
    tert-amyl methyl ether 0.26
    2,5,8-trioxanonane 8.84
    1-hexene 0.05
    2-isopropoxyethanol 2.85
    2,2,2-trifluoroethanol 10.99
    methyl butyrate 1.03

    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