3-[(6-O-Hexopyranosylhexopyranosyl)oxy]-21-hydroxy-9,19-cyclolanost-24-en-26-yl 6-O-hexopyranosylhexopyranoside

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  • Identifiers

    CAS number
    100182-36-3

    Molecular formula
    C54H90O23

    SMILES
    CC(=CCCC(CO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)C)C)COC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 55.61%
    Woody 36.19%
    Sweet 34.47%
    Cooling 24.63%
    Amber 23.88%
    Sandalwood 22.07%
    Spicy 21.55%
    Mint 21.32%
    Balsamic 20.81%
    Warm 20.6%

     

    Flavor
    Bitter 46.67%
    Sweet 40.67%
    Odorless 36.01%
    Fatty 31.96%
    Sweet-like 28.29%
    Bland 24.39%
    Cedarleaf 20.99%
    Mentholic 20.78%
    Cauliflower 20.56%
    Patchouli 20.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    -18.1 (strong acid)

    Molecular weight
    1107.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3385°C

    Flash point

    • 18.59 ˚C est.

  • Synonyms

    • Quadranguloside
    • DTXSID601317054
    • 100182-36-3
    • 3-[(6-O-Hexopyranosylhexopyranosyl)oxy]-21-hydroxy-9,19-cyclolanost-24-en-26-yl 6-O-hexopyranosylhexopyranoside
    • 100182-36-3

  • Applications

    3-[(6-O-Hexopyranosylhexopyranosyl)oxy]-21-hydroxy-9,19-cyclolanost-24-en-26-yl 6-O-hexopyranosylhexopyranoside (CAS 100182-36-3) is a glycosylated lanostane-type saponin. Owing to its glycosylated structure, the compound can act as a surfactant and emulsifier and may be used in cosmetic and personal care formulations (shampoos, lotions, cleansing solutions) as well as in household and industrial cleaning products. It may also be evaluated as an intermediate or formulation excipient in pharmaceutical development and as a starting point for synthesis of glycosylated steroids. In polymer and plastics processing, it can serve as a processing aid or surface-active modifier to improve dispersion and wetting in coatings and ink formulations. Any actual use will be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.32
    methanol 2.66
    isopropanol 0.09
    water 0.06
    ethyl acetate 0.25
    n-propanol 0.16
    acetone 0.63
    n-butanol 0.07
    acetonitrile 0.31
    DMF 4.92
    toluene 0.06
    isobutanol 0.07
    1,4-dioxane 1.08
    methyl acetate 0.34
    THF 1.28
    2-butanone 0.32
    n-pentanol 0.07
    sec-butanol 0.06
    n-hexane 0.0
    ethylene glycol 0.81
    NMP 4.74
    cyclohexane 0.01
    DMSO 6.29
    n-butyl acetate 0.13
    n-octanol 0.13
    chloroform 0.37
    n-propyl acetate 0.15
    acetic acid 3.07
    dichloromethane 0.37
    cyclohexanone 0.4
    propylene glycol 0.43
    isopropyl acetate 0.17
    DMAc 4.84
    2-ethoxyethanol 1.28
    isopentanol 0.05
    n-heptane 0.01
    ethyl formate 0.34
    1,2-dichloroethane 0.17
    n-hexanol 0.06
    2-methoxyethanol 2.55
    isobutyl acetate 0.09
    tetrachloromethane 0.06
    n-pentyl acetate 0.33
    transcutol 3.48
    n-heptanol 0.16
    ethylbenzene 0.03
    MIBK 0.14
    2-propoxyethanol 1.27
    tert-butanol 0.08
    MTBE 0.08
    2-butoxyethanol 1.4
    propionic acid 0.4
    o-xylene 0.05
    formic acid 6.49
    diethyl ether 0.12
    m-xylene 0.05
    p-xylene 0.04
    chlorobenzene 0.07
    dimethyl carbonate 0.87
    n-octane 0.01
    formamide 4.6
    cyclopentanone 0.92
    2-pentanone 0.23
    anisole 0.18
    cyclopentyl methyl ether 0.25
    gamma-butyrolactone 1.5
    1-methoxy-2-propanol 1.22
    pyridine 0.58
    3-pentanone 0.22
    furfural 2.56
    n-dodecane 0.0
    diethylene glycol 1.99
    diisopropyl ether 0.03
    tert-amyl alcohol 0.06
    acetylacetone 0.84
    n-hexadecane 0.0
    acetophenone 0.3
    methyl propionate 0.42
    isopentyl acetate 0.12
    trichloroethylene 0.59
    n-nonanol 0.15
    cyclohexanol 0.06
    benzyl alcohol 0.22
    2-ethylhexanol 0.04
    isooctanol 0.1
    dipropyl ether 0.14
    1,2-dichlorobenzene 0.08
    ethyl lactate 0.36
    propylene carbonate 0.55
    n-methylformamide 2.41
    2-pentanol 0.04
    n-pentane 0.0
    1-propoxy-2-propanol 0.68
    1-methoxy-2-propyl acetate 0.69
    2-(2-methoxypropoxy) propanol 1.01
    mesitylene 0.03
    ε-caprolactone 0.47
    p-cymene 0.04
    epichlorohydrin 1.25
    1,1,1-trichloroethane 0.09
    2-aminoethanol 0.77
    morpholine-4-carbaldehyde 5.62
    sulfolane 4.02
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.23
    n-hexyl acetate 0.32
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.57
    sec-butyl acetate 0.09
    tert-butyl acetate 0.19
    decalin 0.0
    glycerin 2.02
    diglyme 3.74
    acrylic acid 1.0
    isopropyl myristate 0.08
    n-butyric acid 0.33
    acetyl acetate 0.39
    di(2-ethylhexyl) phthalate 0.17
    ethyl propionate 0.17
    nitromethane 5.74
    1,2-diethoxyethane 0.5
    benzonitrile 0.18
    trioctyl phosphate 0.12
    1-bromopropane 0.04
    gamma-valerolactone 3.98
    n-decanol 0.08
    triethyl phosphate 0.15
    4-methyl-2-pentanol 0.03
    propionitrile 0.14
    vinylene carbonate 0.77
    1,1,2-trichlorotrifluoroethane 3.65
    DMS 0.43
    cumene 0.02
    2-octanol 0.08
    2-hexanone 0.15
    octyl acetate 0.16
    limonene 0.04
    1,2-dimethoxyethane 1.51
    ethyl orthosilicate 0.13
    tributyl phosphate 0.1
    diacetone alcohol 0.5
    N,N-dimethylaniline 0.16
    acrylonitrile 0.4
    aniline 0.12
    1,3-propanediol 0.57
    bromobenzene 0.06
    dibromomethane 0.13
    1,1,2,2-tetrachloroethane 0.38
    2-methyl-cyclohexyl acetate 0.14
    tetrabutyl urea 0.19
    diisobutyl methanol 0.03
    2-phenylethanol 0.21
    styrene 0.04
    dioctyl adipate 0.19
    dimethyl sulfate 2.27
    ethyl butyrate 0.16
    methyl lactate 1.11
    butyl lactate 0.49
    diethyl carbonate 0.13
    propanediol butyl ether 1.33
    triethyl orthoformate 0.22
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.72
    morpholine 1.07
    tert-butylamine 0.02
    n-dodecanol 0.05
    dimethoxymethane 2.38
    ethylene carbonate 0.43
    cyrene 1.7
    2-ethoxyethyl acetate 1.08
    2-ethylhexyl acetate 0.09
    1,2,4-trichlorobenzene 0.14
    4-methylpyridine 0.28
    dibutyl ether 0.08
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.57
    dimethyl isosorbide 1.88
    tetrachloroethylene 0.34
    eugenol 0.81
    triacetin 1.0
    span 80 0.83
    1,4-butanediol 0.27
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.05
    methyl formate 2.05
    2-methyl-1-butanol 0.05
    n-decane 0.01
    butyronitrile 0.09
    3,7-dimethyl-1-octanol 0.07
    1-chlorooctane 0.04
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.11
    tetrahydropyran 0.2
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 2.24
    1-hexene 0.01
    2-isopropoxyethanol 0.59
    2,2,2-trifluoroethanol 1.72
    methyl butyrate 0.2

    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