(24S,25R)-3beta,24-Dihydroxyspirost-5-en-1beta-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranoside

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  • Identifiers

    CAS number
    114317-57-6

    Molecular formula
    C38H60O13

    SMILES
    C[C@@H]1CO[C@@]2(C[C@@H]1O)[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@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.52%
    Woody 34.11%
    Sweet 33.88%
    Spicy 30.63%
    Vanilla 22.43%
    Cooling 20.73%
    Mint 20.7%
    Balsamic 19.82%
    Warm 18.99%
    Milky 18.53%

     

    Flavor
    Bitter 49.22%
    Fatty 43.89%
    Sweet 30.37%
    Sweet-like 26.67%
    Odorless 26.61%
    Metallic 24.17%
    Cedarleaf 21.66%
    Cauliflower 21.46%
    Alkaline 21.32%
    Mentholic 20.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    4.17 (weak acid)

    Molecular weight
    724.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    941°C

    Flash point

    • 216.1 ˚C est.

  • Synonyms

    • DTXSID001112460
    • (1I(2),3I(2),24S,25R)-3,24-Dihydroxyspirost-5-en-1-yl 2-O-(6-deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranoside
    • (24S,25R)-3beta,24-Dihydroxyspirost-5-en-1beta-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranoside
    • 114317-57-6
    • 114317-57-6

  • Applications

    Regarding the compound (24S,25R)-3beta,24-Dihydroxyspirost-5-en-1beta-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranoside (CAS 114317-57-6), practical applications are typically focused in several domains: surfactant/emulsifier in cosmetics and personal care; detergents and household cleaning formulations; processing aids or additives in industrial manufacturing such as plastics, coatings, and inks; an intermediate for steroidal glycoside synthesis in pharmaceutical research; and roles as a surfactant or emulsifier in polymer formulations, coatings and inks. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.79
    methanol 52.67
    isopropanol 1.75
    water 0.24
    ethyl acetate 6.24
    n-propanol 5.0
    acetone 10.14
    n-butanol 2.6
    acetonitrile 3.85
    DMF 64.58
    toluene 1.24
    isobutanol 1.68
    1,4-dioxane 21.48
    methyl acetate 6.71
    THF 43.18
    2-butanone 6.98
    n-pentanol 1.93
    sec-butanol 1.24
    n-hexane 0.03
    ethylene glycol 10.67
    NMP 77.64
    cyclohexane 0.08
    DMSO 97.53
    n-butyl acetate 2.66
    n-octanol 2.02
    chloroform 13.31
    n-propyl acetate 2.79
    acetic acid 93.42
    dichloromethane 13.5
    cyclohexanone 13.24
    propylene glycol 8.37
    isopropyl acetate 3.33
    DMAc 54.17
    2-ethoxyethanol 25.19
    isopentanol 1.34
    n-heptane 0.07
    ethyl formate 8.93
    1,2-dichloroethane 5.26
    n-hexanol 1.7
    2-methoxyethanol 61.25
    isobutyl acetate 1.51
    tetrachloromethane 1.43
    n-pentyl acetate 5.34
    transcutol 37.96
    n-heptanol 2.76
    ethylbenzene 0.45
    MIBK 2.72
    2-propoxyethanol 26.49
    tert-butanol 1.08
    MTBE 1.01
    2-butoxyethanol 20.22
    propionic acid 11.84
    o-xylene 0.74
    formic acid 93.57
    diethyl ether 2.11
    m-xylene 0.83
    p-xylene 0.5
    chlorobenzene 2.24
    dimethyl carbonate 13.25
    n-octane 0.04
    formamide 66.89
    cyclopentanone 28.16
    2-pentanone 5.37
    anisole 3.08
    cyclopentyl methyl ether 5.97
    gamma-butyrolactone 45.51
    1-methoxy-2-propanol 25.15
    pyridine 14.76
    3-pentanone 3.93
    furfural 52.56
    n-dodecane 0.03
    diethylene glycol 29.67
    diisopropyl ether 0.38
    tert-amyl alcohol 1.01
    acetylacetone 16.54
    n-hexadecane 0.04
    acetophenone 5.24
    methyl propionate 8.88
    isopentyl acetate 2.31
    trichloroethylene 19.64
    n-nonanol 2.2
    cyclohexanol 1.64
    benzyl alcohol 5.19
    2-ethylhexanol 0.84
    isooctanol 1.68
    dipropyl ether 1.47
    1,2-dichlorobenzene 2.49
    ethyl lactate 5.26
    propylene carbonate 16.07
    n-methylformamide 45.05
    2-pentanol 0.84
    n-pentane 0.04
    1-propoxy-2-propanol 10.07
    1-methoxy-2-propyl acetate 9.79
    2-(2-methoxypropoxy) propanol 11.37
    mesitylene 0.41
    ε-caprolactone 16.7
    p-cymene 0.49
    epichlorohydrin 42.99
    1,1,1-trichloroethane 2.75
    2-aminoethanol 16.23
    morpholine-4-carbaldehyde 88.1
    sulfolane 81.35
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 7.29
    n-hexyl acetate 5.74
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 18.41
    sec-butyl acetate 1.52
    tert-butyl acetate 3.27
    decalin 0.05
    glycerin 31.87
    diglyme 36.71
    acrylic acid 25.24
    isopropyl myristate 1.22
    n-butyric acid 14.04
    acetyl acetate 8.67
    di(2-ethylhexyl) phthalate 3.08
    ethyl propionate 2.7
    nitromethane 96.09
    1,2-diethoxyethane 4.87
    benzonitrile 3.86
    trioctyl phosphate 1.99
    1-bromopropane 1.13
    gamma-valerolactone 101.22
    n-decanol 1.15
    triethyl phosphate 1.89
    4-methyl-2-pentanol 0.61
    propionitrile 2.38
    vinylene carbonate 22.37
    1,1,2-trichlorotrifluoroethane 73.51
    DMS 5.96
    cumene 0.31
    2-octanol 1.05
    2-hexanone 2.59
    octyl acetate 2.54
    limonene 0.62
    1,2-dimethoxyethane 21.02
    ethyl orthosilicate 1.68
    tributyl phosphate 1.66
    diacetone alcohol 8.33
    N,N-dimethylaniline 2.02
    acrylonitrile 6.67
    aniline 3.32
    1,3-propanediol 17.09
    bromobenzene 1.78
    dibromomethane 4.62
    1,1,2,2-tetrachloroethane 11.44
    2-methyl-cyclohexyl acetate 2.53
    tetrabutyl urea 2.67
    diisobutyl methanol 0.45
    2-phenylethanol 4.74
    styrene 0.59
    dioctyl adipate 3.35
    dimethyl sulfate 29.05
    ethyl butyrate 2.35
    methyl lactate 18.75
    butyl lactate 7.49
    diethyl carbonate 1.66
    propanediol butyl ether 16.72
    triethyl orthoformate 2.5
    p-tert-butyltoluene 0.46
    methyl 4-tert-butylbenzoate 8.95
    morpholine 25.97
    tert-butylamine 0.3
    n-dodecanol 0.62
    dimethoxymethane 38.29
    ethylene carbonate 13.39
    cyrene 24.21
    2-ethoxyethyl acetate 14.39
    2-ethylhexyl acetate 1.69
    1,2,4-trichlorobenzene 4.16
    4-methylpyridine 7.2
    dibutyl ether 0.91
    2,6-dimethyl-4-heptanol 0.45
    DEF 11.22
    dimethyl isosorbide 20.49
    tetrachloroethylene 9.45
    eugenol 10.23
    triacetin 12.33
    span 80 11.34
    1,4-butanediol 5.44
    1,1-dichloroethane 2.53
    2-methyl-1-pentanol 1.11
    methyl formate 36.78
    2-methyl-1-butanol 1.42
    n-decane 0.08
    butyronitrile 1.89
    3,7-dimethyl-1-octanol 1.13
    1-chlorooctane 0.5
    1-chlorotetradecane 0.15
    n-nonane 0.06
    undecane 0.05
    tert-butylcyclohexane 0.03
    cyclooctane 0.04
    cyclopentanol 3.49
    tetrahydropyran 5.98
    tert-amyl methyl ether 1.06
    2,5,8-trioxanonane 21.35
    1-hexene 0.15
    2-isopropoxyethanol 9.05
    2,2,2-trifluoroethanol 33.34
    methyl butyrate 3.78

    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