(2alpha,3beta,5alpha,25R)-2-Hydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->3)-beta-D-glucopyranoside

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  • Identifiers

    CAS number
    54963-35-8

    Molecular formula
    C57H94O29

    SMILES
    CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 69.15%
    Sweet 33.75%
    Cooling 23.51%
    Woody 21.54%
    Alcoholic 18.03%
    Mint 17.9%
    Vanilla 17.33%
    Spicy 16.77%
    Milky 16.6%
    Bitter 15.99%

     

    Flavor
    Sweet 54.9%
    Bitter 44.07%
    Odorless 40.26%
    Fatty 37.59%
    Sweet-like 30.13%
    Cauliflower 22.19%
    Alkaline 21.16%
    Bland 21.14%
    Metallic 20.93%
    Very slight 20.84%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -3.0

    pKa est.
    -0.92 (strong acid)

    Molecular weight
    1243.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3724°C

    Melting point expt.

    • 285 - 290 °C

    Flash point

    • 121.97 ˚C est.

  • Synonyms

    • 54963-35-8
    • (2alpha,3beta,5alpha,25R)-2-Hydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->3)-beta-D-glucopyranoside
    • (2alpha,3beta,5alpha,25R)-2-Hydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->3)-beta-D-glucopyranoside
    • RefChem:206342
    • Capsicosin
    • DTXSID501099146
    • (2I+/-,3I(2),5I+/-,25R)-2-Hydroxyspirostan-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-O-I(2)-D-galactopyranosyl-(1a3)-I(2)-D-glucopyranoside
    • 54963-35-8

  • Applications

    The compound (2alpha,3beta,5alpha,25R)-2-Hydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-O-beta-D-glucopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->3)-beta-D-glucopyranoside (CAS 54963-35-8) is a steroidal glycoside whose practical applications lie in surface-active roles in cosmetics and household cleaning formulations; it is commonly evaluated as an excipient or synthetic intermediate for other glycoside derivatives in pharmaceutical research; it can serve as a formulation stabilizer or cleansing aid in emulsions and may be explored as an adjuvant in agrochemical formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.14
    methanol 9.76
    isopropanol 0.3
    water 0.56
    ethyl acetate 1.04
    n-propanol 0.53
    acetone 2.28
    n-butanol 0.25
    acetonitrile 1.02
    DMF 22.31
    toluene 0.26
    isobutanol 0.2
    1,4-dioxane 4.1
    methyl acetate 1.3
    THF 6.01
    2-butanone 1.13
    n-pentanol 0.26
    sec-butanol 0.18
    n-hexane 0.01
    ethylene glycol 3.54
    NMP 26.12
    cyclohexane 0.03
    DMSO 38.85
    n-butyl acetate 0.58
    n-octanol 0.48
    chloroform 1.25
    n-propyl acetate 0.65
    acetic acid 15.98
    dichloromethane 1.49
    cyclohexanone 1.84
    propylene glycol 1.7
    isopropyl acetate 0.67
    DMAc 19.8
    2-ethoxyethanol 4.89
    isopentanol 0.15
    n-heptane 0.03
    ethyl formate 1.47
    1,2-dichloroethane 0.75
    n-hexanol 0.24
    2-methoxyethanol 9.82
    isobutyl acetate 0.33
    tetrachloromethane 0.2
    n-pentyl acetate 1.28
    transcutol 10.69
    n-heptanol 0.56
    ethylbenzene 0.11
    MIBK 0.48
    2-propoxyethanol 4.47
    tert-butanol 0.19
    MTBE 0.18
    2-butoxyethanol 4.29
    propionic acid 1.64
    o-xylene 0.2
    formic acid 37.13
    diethyl ether 0.38
    m-xylene 0.19
    p-xylene 0.14
    chlorobenzene 0.31
    dimethyl carbonate 4.26
    n-octane 0.02
    formamide 25.9
    cyclopentanone 4.39
    2-pentanone 0.85
    anisole 0.57
    cyclopentyl methyl ether 1.09
    gamma-butyrolactone 8.2
    1-methoxy-2-propanol 4.47
    pyridine 2.54
    3-pentanone 0.73
    furfural 12.85
    n-dodecane 0.02
    diethylene glycol 7.73
    diisopropyl ether 0.09
    tert-amyl alcohol 0.17
    acetylacetone 3.96
    n-hexadecane 0.02
    acetophenone 1.27
    methyl propionate 1.77
    isopentyl acetate 0.44
    trichloroethylene 2.29
    n-nonanol 0.52
    cyclohexanol 0.23
    benzyl alcohol 0.86
    2-ethylhexanol 0.15
    isooctanol 0.33
    dipropyl ether 0.44
    1,2-dichlorobenzene 0.38
    ethyl lactate 1.47
    propylene carbonate 2.86
    n-methylformamide 10.51
    2-pentanol 0.12
    n-pentane 0.01
    1-propoxy-2-propanol 2.31
    1-methoxy-2-propyl acetate 2.55
    2-(2-methoxypropoxy) propanol 3.0
    mesitylene 0.11
    ε-caprolactone 2.31
    p-cymene 0.14
    epichlorohydrin 5.45
    1,1,1-trichloroethane 0.34
    2-aminoethanol 2.83
    morpholine-4-carbaldehyde 26.05
    sulfolane 22.68
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.99
    n-hexyl acetate 1.15
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.96
    sec-butyl acetate 0.32
    tert-butyl acetate 0.68
    decalin 0.01
    glycerin 8.6
    diglyme 10.15
    acrylic acid 4.79
    isopropyl myristate 0.3
    n-butyric acid 1.37
    acetyl acetate 1.97
    di(2-ethylhexyl) phthalate 0.72
    ethyl propionate 0.63
    nitromethane 26.56
    1,2-diethoxyethane 1.56
    benzonitrile 0.74
    trioctyl phosphate 0.49
    1-bromopropane 0.16
    gamma-valerolactone 17.38
    n-decanol 0.3
    triethyl phosphate 0.54
    4-methyl-2-pentanol 0.09
    propionitrile 0.42
    vinylene carbonate 4.03
    1,1,2-trichlorotrifluoroethane 15.21
    DMS 1.74
    cumene 0.08
    2-octanol 0.27
    2-hexanone 0.54
    octyl acetate 0.63
    limonene 0.17
    1,2-dimethoxyethane 4.93
    ethyl orthosilicate 0.45
    tributyl phosphate 0.39
    diacetone alcohol 1.79
    N,N-dimethylaniline 0.54
    acrylonitrile 1.33
    aniline 0.57
    1,3-propanediol 2.14
    bromobenzene 0.27
    dibromomethane 0.56
    1,1,2,2-tetrachloroethane 1.48
    2-methyl-cyclohexyl acetate 0.54
    tetrabutyl urea 0.81
    diisobutyl methanol 0.1
    2-phenylethanol 0.84
    styrene 0.14
    dioctyl adipate 0.82
    dimethyl sulfate 11.73
    ethyl butyrate 0.59
    methyl lactate 4.71
    butyl lactate 1.91
    diethyl carbonate 0.46
    propanediol butyl ether 4.58
    triethyl orthoformate 0.74
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 2.61
    morpholine 4.04
    tert-butylamine 0.06
    n-dodecanol 0.18
    dimethoxymethane 9.28
    ethylene carbonate 2.21
    cyrene 6.73
    2-ethoxyethyl acetate 3.82
    2-ethylhexyl acetate 0.36
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 1.22
    dibutyl ether 0.28
    2,6-dimethyl-4-heptanol 0.1
    DEF 2.4
    dimethyl isosorbide 6.49
    tetrachloroethylene 1.35
    eugenol 2.98
    triacetin 3.86
    span 80 3.12
    1,4-butanediol 1.1
    1,1-dichloroethane 0.34
    2-methyl-1-pentanol 0.14
    methyl formate 10.42
    2-methyl-1-butanol 0.14
    n-decane 0.04
    butyronitrile 0.28
    3,7-dimethyl-1-octanol 0.22
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.47
    tetrahydropyran 0.8
    tert-amyl methyl ether 0.21
    2,5,8-trioxanonane 6.66
    1-hexene 0.04
    2-isopropoxyethanol 1.96
    2,2,2-trifluoroethanol 9.08
    methyl butyrate 0.8

    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