(25R)-2alpha-Hydroxyspirost-5-en-3beta-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside

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  • Identifiers

    CAS number
    139606-31-8

    Molecular formula
    C39H62O13

    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)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.69%
    Woody 32.56%
    Spicy 28.95%
    Sweet 28.38%
    Cooling 21.71%
    Mint 20.62%
    Vanilla 20.28%
    Balsamic 19.13%
    Warm 18.78%
    Amber 18.65%

     

    Flavor
    Bitter 45.73%
    Fatty 41.2%
    Sweet 34.39%
    Odorless 27.42%
    Sweet-like 26.56%
    Metallic 23.89%
    Cauliflower 21.91%
    Cedarleaf 21.68%
    Alkaline 21.66%
    Mentholic 21.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    3.86 (weak acid)

    Molecular weight
    738.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    707°C

    Flash point

    • 221.04 ˚C est.

  • Synonyms

    • DTXSID501119128
    • (25R)-2alpha-Hydroxyspirost-5-en-3beta-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside
    • (2I+/-,3I(2),25R)-2-Hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-galactopyranoside
    • 139606-31-8
    • 139606-31-8

  • Applications

    The practical applications of (25R)-2alpha-Hydroxyspirost-5-en-3beta-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranoside (CAS number: 139606-31-8) primarily relate to surface-active and emulsifying roles, given its steroidal saponin glycoside class. In cosmetics/personal care, it is used as a surfactant and emulsifier in cleansers, shampoos, and moisturizers. In household cleaning products, it functions as a foaming agent and surfactant to enhance cleaning performance. In coatings and inks, it can be used as a surface-active additive to improve wetting and stability of formulations. In agriculture, it is often evaluated as an adjuvant for pesticide formulations, improving distribution and adherence on plant surfaces, with local regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.17
    methanol 20.98
    isopropanol 0.6
    water 0.16
    ethyl acetate 2.64
    n-propanol 1.42
    acetone 5.38
    n-butanol 0.74
    acetonitrile 2.01
    DMF 34.54
    toluene 0.71
    isobutanol 0.54
    1,4-dioxane 11.0
    methyl acetate 3.03
    THF 20.13
    2-butanone 2.93
    n-pentanol 0.72
    sec-butanol 0.39
    n-hexane 0.02
    ethylene glycol 4.34
    NMP 39.4
    cyclohexane 0.04
    DMSO 53.22
    n-butyl acetate 1.29
    n-octanol 1.14
    chloroform 5.22
    n-propyl acetate 1.45
    acetic acid 39.2
    dichloromethane 5.52
    cyclohexanone 5.81
    propylene glycol 2.79
    isopropyl acetate 1.65
    DMAc 30.39
    2-ethoxyethanol 10.97
    isopentanol 0.46
    n-heptane 0.04
    ethyl formate 3.53
    1,2-dichloroethane 2.21
    n-hexanol 0.65
    2-methoxyethanol 22.94
    isobutyl acetate 0.88
    tetrachloromethane 0.61
    n-pentyl acetate 3.17
    transcutol 23.25
    n-heptanol 1.39
    ethylbenzene 0.29
    MIBK 1.42
    2-propoxyethanol 11.54
    tert-butanol 0.42
    MTBE 0.47
    2-butoxyethanol 10.52
    propionic acid 4.11
    o-xylene 0.47
    formic acid 45.52
    diethyl ether 0.91
    m-xylene 0.52
    p-xylene 0.35
    chlorobenzene 1.12
    dimethyl carbonate 6.97
    n-octane 0.03
    formamide 32.54
    cyclopentanone 12.89
    2-pentanone 2.39
    anisole 1.97
    cyclopentyl methyl ether 2.82
    gamma-butyrolactone 19.53
    1-methoxy-2-propanol 9.58
    pyridine 7.07
    3-pentanone 1.9
    furfural 27.41
    n-dodecane 0.02
    diethylene glycol 13.7
    diisopropyl ether 0.21
    tert-amyl alcohol 0.37
    acetylacetone 9.86
    n-hexadecane 0.03
    acetophenone 3.24
    methyl propionate 3.88
    isopentyl acetate 1.2
    trichloroethylene 8.42
    n-nonanol 1.26
    cyclohexanol 0.6
    benzyl alcohol 2.68
    2-ethylhexanol 0.39
    isooctanol 0.9
    dipropyl ether 0.83
    1,2-dichlorobenzene 1.31
    ethyl lactate 2.65
    propylene carbonate 6.99
    n-methylformamide 18.51
    2-pentanol 0.29
    n-pentane 0.02
    1-propoxy-2-propanol 4.94
    1-methoxy-2-propyl acetate 5.16
    2-(2-methoxypropoxy) propanol 6.82
    mesitylene 0.28
    ε-caprolactone 6.85
    p-cymene 0.31
    epichlorohydrin 18.42
    1,1,1-trichloroethane 1.24
    2-aminoethanol 5.57
    morpholine-4-carbaldehyde 47.57
    sulfolane 43.64
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.88
    n-hexyl acetate 3.3
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.99
    sec-butyl acetate 0.81
    tert-butyl acetate 1.77
    decalin 0.03
    glycerin 12.54
    diglyme 22.69
    acrylic acid 10.05
    isopropyl myristate 0.77
    n-butyric acid 4.38
    acetyl acetate 4.78
    di(2-ethylhexyl) phthalate 1.89
    ethyl propionate 1.36
    nitromethane 51.05
    1,2-diethoxyethane 3.1
    benzonitrile 2.14
    trioctyl phosphate 1.19
    1-bromopropane 0.48
    gamma-valerolactone 48.74
    n-decanol 0.68
    triethyl phosphate 1.08
    4-methyl-2-pentanol 0.25
    propionitrile 1.04
    vinylene carbonate 10.6
    1,1,2-trichlorotrifluoroethane 35.4
    DMS 3.56
    cumene 0.21
    2-octanol 0.58
    2-hexanone 1.41
    octyl acetate 1.53
    limonene 0.35
    1,2-dimethoxyethane 11.67
    ethyl orthosilicate 0.95
    tributyl phosphate 0.95
    diacetone alcohol 4.08
    N,N-dimethylaniline 1.4
    acrylonitrile 3.16
    aniline 1.51
    1,3-propanediol 5.22
    bromobenzene 0.95
    dibromomethane 1.85
    1,1,2,2-tetrachloroethane 4.67
    2-methyl-cyclohexyl acetate 1.44
    tetrabutyl urea 1.68
    diisobutyl methanol 0.24
    2-phenylethanol 2.58
    styrene 0.39
    dioctyl adipate 2.1
    dimethyl sulfate 16.91
    ethyl butyrate 1.26
    methyl lactate 8.32
    butyl lactate 4.13
    diethyl carbonate 0.85
    propanediol butyl ether 9.34
    triethyl orthoformate 1.44
    p-tert-butyltoluene 0.29
    methyl 4-tert-butylbenzoate 5.74
    morpholine 10.66
    tert-butylamine 0.12
    n-dodecanol 0.38
    dimethoxymethane 19.76
    ethylene carbonate 6.07
    cyrene 14.49
    2-ethoxyethyl acetate 8.83
    2-ethylhexyl acetate 0.89
    1,2,4-trichlorobenzene 2.17
    4-methylpyridine 3.65
    dibutyl ether 0.57
    2,6-dimethyl-4-heptanol 0.24
    DEF 5.14
    dimethyl isosorbide 13.04
    tetrachloroethylene 4.16
    eugenol 6.55
    triacetin 7.91
    span 80 6.58
    1,4-butanediol 2.27
    1,1-dichloroethane 1.08
    2-methyl-1-pentanol 0.44
    methyl formate 17.59
    2-methyl-1-butanol 0.44
    n-decane 0.05
    butyronitrile 0.77
    3,7-dimethyl-1-octanol 0.61
    1-chlorooctane 0.31
    1-chlorotetradecane 0.09
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.19
    tetrahydropyran 2.34
    tert-amyl methyl ether 0.48
    2,5,8-trioxanonane 14.2
    1-hexene 0.08
    2-isopropoxyethanol 4.53
    2,2,2-trifluoroethanol 14.74
    methyl butyrate 1.83

    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