(2I+/-,3I(2),25S)-2-Hydroxyspirost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside

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  • Identifiers

    CAS number
    265092-97-5

    Molecular formula
    C45H72O17

    SMILES
    C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.05%
    Woody 28.8%
    Sweet 28.33%
    Spicy 24.78%
    Cooling 20.98%
    Vanilla 20.53%
    Mint 18.31%
    Milky 18.13%
    Warm 17.14%
    Balsamic 16.33%

     

    Flavor
    Bitter 45.56%
    Fatty 40.8%
    Sweet 38.72%
    Odorless 30.32%
    Sweet-like 27.57%
    Metallic 23.39%
    Cauliflower 21.9%
    Alkaline 21.46%
    Mentholic 21.26%
    Cedarleaf 21.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    3.15 (weak acid)

    Molecular weight
    885.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1631°C

    Flash point

    • 195.82 ˚C est.

  • Synonyms

    • DTXSID501102664
    • (2I+/-,3I(2),25S)-2-Hydroxyspirost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside
    • 265092-97-5
    • 265092-97-5

  • Applications

    Chemical name: (2I+/-,3I(2),25S)-2-Hydroxyspirost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside; CAS 265092-97-5 is a steroidal glycoside, a spirostane-type molecule that can serve as a chiral building block and intermediate in the synthesis of steroidal glycosides for pharmaceutical research and natural-product synthesis. Its steroidal saponin-like character lends itself to surfactant or foaming roles in cosmetic and household cleaning formulations, and it can be employed as a research reagent to study glycosylation patterns and glycoside biosynthesis, with use typically considered in formulation science as a natural-product-derived component and subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.75
    methanol 18.44
    isopropanol 0.49
    water 0.17
    ethyl acetate 2.11
    n-propanol 1.08
    acetone 4.34
    n-butanol 0.54
    acetonitrile 1.71
    DMF 36.01
    toluene 0.52
    isobutanol 0.42
    1,4-dioxane 9.06
    methyl acetate 2.67
    THF 14.56
    2-butanone 2.37
    n-pentanol 0.54
    sec-butanol 0.33
    n-hexane 0.01
    ethylene glycol 4.26
    NMP 39.59
    cyclohexane 0.03
    DMSO 52.3
    n-butyl acetate 1.12
    n-octanol 0.96
    chloroform 3.99
    n-propyl acetate 1.23
    acetic acid 33.59
    dichloromethane 4.42
    cyclohexanone 4.24
    propylene glycol 2.78
    isopropyl acetate 1.29
    DMAc 30.82
    2-ethoxyethanol 9.42
    isopentanol 0.34
    n-heptane 0.03
    ethyl formate 3.0
    1,2-dichloroethane 1.7
    n-hexanol 0.49
    2-methoxyethanol 19.23
    isobutyl acetate 0.72
    tetrachloromethane 0.45
    n-pentyl acetate 2.79
    transcutol 19.89
    n-heptanol 1.14
    ethylbenzene 0.23
    MIBK 1.06
    2-propoxyethanol 9.31
    tert-butanol 0.36
    MTBE 0.4
    2-butoxyethanol 8.71
    propionic acid 3.56
    o-xylene 0.37
    formic acid 45.75
    diethyl ether 0.7
    m-xylene 0.38
    p-xylene 0.29
    chlorobenzene 0.81
    dimethyl carbonate 6.49
    n-octane 0.02
    formamide 32.05
    cyclopentanone 9.73
    2-pentanone 1.76
    anisole 1.53
    cyclopentyl methyl ether 2.1
    gamma-butyrolactone 15.83
    1-methoxy-2-propanol 8.26
    pyridine 5.56
    3-pentanone 1.47
    furfural 25.22
    n-dodecane 0.02
    diethylene glycol 12.29
    diisopropyl ether 0.16
    tert-amyl alcohol 0.33
    acetylacetone 7.83
    n-hexadecane 0.02
    acetophenone 2.64
    methyl propionate 3.25
    isopentyl acetate 1.0
    trichloroethylene 6.67
    n-nonanol 1.06
    cyclohexanol 0.45
    benzyl alcohol 2.13
    2-ethylhexanol 0.31
    isooctanol 0.72
    dipropyl ether 0.72
    1,2-dichlorobenzene 1.01
    ethyl lactate 2.52
    propylene carbonate 6.09
    n-methylformamide 17.95
    2-pentanol 0.23
    n-pentane 0.02
    1-propoxy-2-propanol 4.39
    1-methoxy-2-propyl acetate 4.59
    2-(2-methoxypropoxy) propanol 6.27
    mesitylene 0.21
    ε-caprolactone 5.38
    p-cymene 0.25
    epichlorohydrin 14.31
    1,1,1-trichloroethane 0.93
    2-aminoethanol 4.84
    morpholine-4-carbaldehyde 45.82
    sulfolane 39.78
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.16
    n-hexyl acetate 2.75
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.53
    sec-butyl acetate 0.66
    tert-butyl acetate 1.41
    decalin 0.02
    glycerin 12.28
    diglyme 20.21
    acrylic acid 9.15
    isopropyl myristate 0.64
    n-butyric acid 3.25
    acetyl acetate 3.94
    di(2-ethylhexyl) phthalate 1.6
    ethyl propionate 1.14
    nitromethane 49.04
    1,2-diethoxyethane 2.7
    benzonitrile 1.77
    trioctyl phosphate 1.02
    1-bromopropane 0.36
    gamma-valerolactone 40.36
    n-decanol 0.57
    triethyl phosphate 1.0
    4-methyl-2-pentanol 0.19
    propionitrile 0.86
    vinylene carbonate 9.35
    1,1,2-trichlorotrifluoroethane 32.16
    DMS 3.2
    cumene 0.16
    2-octanol 0.51
    2-hexanone 1.14
    octyl acetate 1.3
    limonene 0.28
    1,2-dimethoxyethane 10.41
    ethyl orthosilicate 0.86
    tributyl phosphate 0.82
    diacetone alcohol 3.35
    N,N-dimethylaniline 1.16
    acrylonitrile 2.71
    aniline 1.13
    1,3-propanediol 4.07
    bromobenzene 0.7
    dibromomethane 1.44
    1,1,2,2-tetrachloroethane 3.76
    2-methyl-cyclohexyl acetate 1.19
    tetrabutyl urea 1.53
    diisobutyl methanol 0.19
    2-phenylethanol 2.01
    styrene 0.3
    dioctyl adipate 1.82
    dimethyl sulfate 16.84
    ethyl butyrate 1.1
    methyl lactate 7.8
    butyl lactate 3.8
    diethyl carbonate 0.78
    propanediol butyl ether 8.56
    triethyl orthoformate 1.31
    p-tert-butyltoluene 0.23
    methyl 4-tert-butylbenzoate 5.02
    morpholine 8.7
    tert-butylamine 0.1
    n-dodecanol 0.32
    dimethoxymethane 16.89
    ethylene carbonate 5.04
    cyrene 13.4
    2-ethoxyethyl acetate 8.0
    2-ethylhexyl acetate 0.77
    1,2,4-trichlorobenzene 1.72
    4-methylpyridine 2.87
    dibutyl ether 0.48
    2,6-dimethyl-4-heptanol 0.19
    DEF 4.4
    dimethyl isosorbide 12.12
    tetrachloroethylene 3.18
    eugenol 5.75
    triacetin 7.45
    span 80 6.02
    1,4-butanediol 2.02
    1,1-dichloroethane 0.83
    2-methyl-1-pentanol 0.33
    methyl formate 17.11
    2-methyl-1-butanol 0.34
    n-decane 0.05
    butyronitrile 0.59
    3,7-dimethyl-1-octanol 0.49
    1-chlorooctane 0.25
    1-chlorotetradecane 0.08
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 0.91
    tetrahydropyran 1.71
    tert-amyl methyl ether 0.42
    2,5,8-trioxanonane 12.82
    1-hexene 0.06
    2-isopropoxyethanol 3.91
    2,2,2-trifluoroethanol 13.51
    methyl butyrate 1.55

    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