Spirostan-12-one, 3-[(O-beta-D-xylopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl)oxy]-, (3beta,5alpha,25R)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    58546-17-1

    Molecular formula
    C50H80O23

    SMILES
    CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)OC2C(C(C(CO2)O)O)O)O)O)O)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.78%
    Sweet 30.03%
    Woody 25.03%
    Cooling 24.0%
    Spicy 21.23%
    Mint 19.71%
    Vanilla 18.39%
    Milky 17.87%
    Warm 16.75%
    Savory 16.02%

     

    Flavor
    Bitter 49.8%
    Sweet 41.58%
    Fatty 40.13%
    Odorless 33.35%
    Sweet-like 29.04%
    Metallic 22.44%
    Bland 21.85%
    Cauliflower 21.83%
    Alkaline 21.16%
    Cedarleaf 20.68%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -2.6

    pKa est.
    1.34 (strong acid)

    Molecular weight
    1049.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3255°C

    Melting point expt.

    • 200 - 204 °C

    Flash point

    • 161.07 ˚C est.

  • Synonyms

    • 58546-17-1
    • Spirostan-12-one, 3-((O-beta-D-xylopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl)oxy)-, (3beta,5alpha,25R)-
    • Spirostan-12-one, 3-[(O-beta-D-xylopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl)oxy]-, (3beta,5alpha,25R)-
    • RefChem:381239
    • Spirostan-12-one, 3-[(O-beta-D-xylopyranosyl-(1-->2)-O-beta-D-glucopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranosyl)oxy]-, (3beta,5alpha,25R)-
    • Agavoside C'
    • 16-[5-[5-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
    • Agavesaponin C'
    • Agaveside C'
    • orb1983677
    • 58546-17-1

  • Applications

    The compound Spirostan-12-one, 3-[(O-beta-D-xylopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl)oxy]-, (3beta,5alpha,25R)- (CAS 58546-17-1) is primarily viewed as a steroidal glycoside intermediate used in pharmaceutical synthesis and research; it has potential applications in cosmetics and personal care as a surfactant, emulsifier, or stabilizer in glycoside-based formulations; in household products as a surfactant or emulsifier; in coatings and polymers as a processing aid or surface-active additive; and in agriculture as an adjuvant or formulation aid for crop protection products. These roles reflect the glycosidic moiety and the steroidal aglycone, providing surface-active or compatibility-enhancing properties without asserting therapeutic or regulatory claims.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.38
    methanol 15.0
    isopropanol 0.43
    water 0.56
    ethyl acetate 1.89
    n-propanol 0.73
    acetone 4.26
    n-butanol 0.34
    acetonitrile 1.83
    DMF 41.71
    toluene 0.47
    isobutanol 0.28
    1,4-dioxane 7.63
    methyl acetate 2.48
    THF 11.28
    2-butanone 2.06
    n-pentanol 0.35
    sec-butanol 0.25
    n-hexane 0.01
    ethylene glycol 5.19
    NMP 46.49
    cyclohexane 0.03
    DMSO 53.08
    n-butyl acetate 0.89
    n-octanol 0.7
    chloroform 2.67
    n-propyl acetate 1.08
    acetic acid 29.59
    dichloromethane 2.95
    cyclohexanone 3.48
    propylene glycol 2.57
    isopropyl acetate 1.18
    DMAc 35.04
    2-ethoxyethanol 7.0
    isopentanol 0.2
    n-heptane 0.04
    ethyl formate 2.6
    1,2-dichloroethane 1.32
    n-hexanol 0.32
    2-methoxyethanol 15.62
    isobutyl acetate 0.55
    tetrachloromethane 0.35
    n-pentyl acetate 2.07
    transcutol 15.99
    n-heptanol 0.75
    ethylbenzene 0.17
    MIBK 0.8
    2-propoxyethanol 6.74
    tert-butanol 0.31
    MTBE 0.29
    2-butoxyethanol 6.12
    propionic acid 2.91
    o-xylene 0.34
    formic acid 57.13
    diethyl ether 0.56
    m-xylene 0.33
    p-xylene 0.25
    chlorobenzene 0.61
    dimethyl carbonate 8.31
    n-octane 0.03
    formamide 39.6
    cyclopentanone 8.83
    2-pentanone 1.43
    anisole 1.06
    cyclopentyl methyl ether 1.8
    gamma-butyrolactone 16.48
    1-methoxy-2-propanol 6.84
    pyridine 4.61
    3-pentanone 1.34
    furfural 24.52
    n-dodecane 0.02
    diethylene glycol 11.81
    diisopropyl ether 0.13
    tert-amyl alcohol 0.24
    acetylacetone 8.14
    n-hexadecane 0.02
    acetophenone 2.31
    methyl propionate 3.12
    isopentyl acetate 0.68
    trichloroethylene 5.06
    n-nonanol 0.74
    cyclohexanol 0.34
    benzyl alcohol 1.51
    2-ethylhexanol 0.19
    isooctanol 0.46
    dipropyl ether 0.57
    1,2-dichlorobenzene 0.78
    ethyl lactate 2.43
    propylene carbonate 6.12
    n-methylformamide 18.85
    2-pentanol 0.16
    n-pentane 0.01
    1-propoxy-2-propanol 3.44
    1-methoxy-2-propyl acetate 4.04
    2-(2-methoxypropoxy) propanol 4.55
    mesitylene 0.19
    ε-caprolactone 4.17
    p-cymene 0.2
    epichlorohydrin 10.93
    1,1,1-trichloroethane 0.72
    2-aminoethanol 3.99
    morpholine-4-carbaldehyde 45.54
    sulfolane 42.37
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.6
    n-hexyl acetate 1.97
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.2
    sec-butyl acetate 0.54
    tert-butyl acetate 1.17
    decalin 0.02
    glycerin 12.79
    diglyme 15.81
    acrylic acid 8.64
    isopropyl myristate 0.5
    n-butyric acid 2.33
    acetyl acetate 3.92
    di(2-ethylhexyl) phthalate 1.22
    ethyl propionate 1.07
    nitromethane 54.28
    1,2-diethoxyethane 2.25
    benzonitrile 1.46
    trioctyl phosphate 0.79
    1-bromopropane 0.24
    gamma-valerolactone 34.35
    n-decanol 0.43
    triethyl phosphate 0.83
    4-methyl-2-pentanol 0.12
    propionitrile 0.76
    vinylene carbonate 8.74
    1,1,2-trichlorotrifluoroethane 28.27
    DMS 3.33
    cumene 0.13
    2-octanol 0.37
    2-hexanone 0.87
    octyl acetate 1.04
    limonene 0.22
    1,2-dimethoxyethane 7.86
    ethyl orthosilicate 0.66
    tributyl phosphate 0.68
    diacetone alcohol 2.99
    N,N-dimethylaniline 0.89
    acrylonitrile 2.6
    aniline 1.05
    1,3-propanediol 3.12
    bromobenzene 0.54
    dibromomethane 0.97
    1,1,2,2-tetrachloroethane 3.0
    2-methyl-cyclohexyl acetate 0.84
    tetrabutyl urea 1.36
    diisobutyl methanol 0.13
    2-phenylethanol 1.33
    styrene 0.25
    dioctyl adipate 1.43
    dimethyl sulfate 22.04
    ethyl butyrate 0.9
    methyl lactate 8.67
    butyl lactate 3.09
    diethyl carbonate 0.72
    propanediol butyl ether 6.62
    triethyl orthoformate 1.13
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 4.26
    morpholine 6.84
    tert-butylamine 0.08
    n-dodecanol 0.25
    dimethoxymethane 16.78
    ethylene carbonate 4.46
    cyrene 11.01
    2-ethoxyethyl acetate 6.34
    2-ethylhexyl acetate 0.54
    1,2,4-trichlorobenzene 1.28
    4-methylpyridine 2.4
    dibutyl ether 0.39
    2,6-dimethyl-4-heptanol 0.13
    DEF 4.11
    dimethyl isosorbide 9.71
    tetrachloroethylene 2.54
    eugenol 4.61
    triacetin 6.59
    span 80 4.75
    1,4-butanediol 1.61
    1,1-dichloroethane 0.65
    2-methyl-1-pentanol 0.19
    methyl formate 19.43
    2-methyl-1-butanol 0.2
    n-decane 0.05
    butyronitrile 0.46
    3,7-dimethyl-1-octanol 0.33
    1-chlorooctane 0.2
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.77
    tetrahydropyran 1.32
    tert-amyl methyl ether 0.3
    2,5,8-trioxanonane 10.05
    1-hexene 0.05
    2-isopropoxyethanol 2.87
    2,2,2-trifluoroethanol 16.3
    methyl butyrate 1.37

    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