Alliospiroside D

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  • Identifiers

    CAS number
    114317-58-7

    Molecular formula
    C39H62O14

    SMILES
    CC1COC2(CC1O)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C

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  • Odor profile

    Fragrance
    Odorless 56.3%
    Sweet 32.04%
    Woody 30.47%
    Spicy 27.58%
    Cooling 21.78%
    Vanilla 21.77%
    Mint 20.83%
    Milky 18.84%
    Balsamic 18.43%
    Warm 18.11%

     

    Flavor
    Bitter 48.46%
    Fatty 43.35%
    Sweet 34.25%
    Odorless 29.16%
    Sweet-like 27.33%
    Metallic 24.02%
    Cauliflower 21.68%
    Cedarleaf 21.56%
    Alkaline 21.38%
    Mentholic 21.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    3.94 (weak acid)

    Molecular weight
    754.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1344°C

    Melting point expt.

    • 242 - 243 °C

    Flash point

    • 219.28 ˚C est.

  • Synonyms

    • Alliospiroside D
    • CHEBI:169837
    • DTXSID301111097
    • 114317-58-7
    • 2-[2-(4',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
    • I(2)-D-Galactopyranoside, (1I(2),3I(2),24S,25R)-3,24-dihydroxyspirost-5-en-1-yl 2-O-(6-deoxy-I+/--L-mannopyranosyl)-
    • 114317-58-7

  • Applications

    Alliospiroside D (CAS 114317-58-7) is a natural glycoside with surfactant-like properties typical of saponins; potential real-world applications include use as a natural surfactant or foaming agent in cosmetic and personal care formulations, in household cleaning products, as a pharmaceutical research lead or intermediate, as an intermediate in organic synthesis within industrial manufacturing, and as a natural bioactive candidate in agricultural research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.43
    methanol 46.76
    isopropanol 1.42
    water 0.25
    ethyl acetate 5.2
    n-propanol 3.82
    acetone 8.66
    n-butanol 1.9
    acetonitrile 3.26
    DMF 58.83
    toluene 0.9
    isobutanol 1.26
    1,4-dioxane 18.35
    methyl acetate 5.69
    THF 35.01
    2-butanone 5.71
    n-pentanol 1.42
    sec-butanol 0.97
    n-hexane 0.02
    ethylene glycol 10.15
    NMP 69.43
    cyclohexane 0.06
    DMSO 90.95
    n-butyl acetate 2.15
    n-octanol 1.63
    chloroform 9.65
    n-propyl acetate 2.29
    acetic acid 79.85
    dichloromethane 10.09
    cyclohexanone 10.33
    propylene glycol 7.02
    isopropyl acetate 2.72
    DMAc 48.79
    2-ethoxyethanol 20.8
    isopentanol 0.99
    n-heptane 0.06
    ethyl formate 7.52
    1,2-dichloroethane 4.12
    n-hexanol 1.27
    2-methoxyethanol 51.61
    isobutyl acetate 1.19
    tetrachloromethane 1.09
    n-pentyl acetate 4.38
    transcutol 32.45
    n-heptanol 2.13
    ethylbenzene 0.33
    MIBK 2.15
    2-propoxyethanol 21.27
    tert-butanol 0.87
    MTBE 0.81
    2-butoxyethanol 16.2
    propionic acid 9.61
    o-xylene 0.56
    formic acid 90.41
    diethyl ether 1.75
    m-xylene 0.6
    p-xylene 0.38
    chlorobenzene 1.56
    dimethyl carbonate 11.51
    n-octane 0.03
    formamide 62.01
    cyclopentanone 22.45
    2-pentanone 4.3
    anisole 2.32
    cyclopentyl methyl ether 4.68
    gamma-butyrolactone 36.68
    1-methoxy-2-propanol 20.36
    pyridine 11.27
    3-pentanone 3.23
    furfural 43.95
    n-dodecane 0.03
    diethylene glycol 25.73
    diisopropyl ether 0.31
    tert-amyl alcohol 0.79
    acetylacetone 13.98
    n-hexadecane 0.03
    acetophenone 4.1
    methyl propionate 7.39
    isopentyl acetate 1.83
    trichloroethylene 14.95
    n-nonanol 1.76
    cyclohexanol 1.23
    benzyl alcohol 3.84
    2-ethylhexanol 0.64
    isooctanol 1.29
    dipropyl ether 1.21
    1,2-dichlorobenzene 1.79
    ethyl lactate 4.33
    propylene carbonate 13.12
    n-methylformamide 39.4
    2-pentanol 0.64
    n-pentane 0.04
    1-propoxy-2-propanol 8.19
    1-methoxy-2-propyl acetate 8.15
    2-(2-methoxypropoxy) propanol 9.5
    mesitylene 0.31
    ε-caprolactone 13.03
    p-cymene 0.38
    epichlorohydrin 34.33
    1,1,1-trichloroethane 2.06
    2-aminoethanol 13.4
    morpholine-4-carbaldehyde 78.99
    sulfolane 71.37
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.77
    n-hexyl acetate 4.65
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 15.38
    sec-butyl acetate 1.23
    tert-butyl acetate 2.62
    decalin 0.04
    glycerin 28.31
    diglyme 30.97
    acrylic acid 20.99
    isopropyl myristate 0.98
    n-butyric acid 10.6
    acetyl acetate 7.32
    di(2-ethylhexyl) phthalate 2.45
    ethyl propionate 2.25
    nitromethane 88.31
    1,2-diethoxyethane 4.21
    benzonitrile 2.96
    trioctyl phosphate 1.59
    1-bromopropane 0.87
    gamma-valerolactone 85.17
    n-decanol 0.93
    triethyl phosphate 1.55
    4-methyl-2-pentanol 0.46
    propionitrile 1.9
    vinylene carbonate 18.28
    1,1,2-trichlorotrifluoroethane 61.97
    DMS 5.14
    cumene 0.23
    2-octanol 0.85
    2-hexanone 2.07
    octyl acetate 2.06
    limonene 0.49
    1,2-dimethoxyethane 18.08
    ethyl orthosilicate 1.36
    tributyl phosphate 1.33
    diacetone alcohol 6.77
    N,N-dimethylaniline 1.59
    acrylonitrile 5.43
    aniline 2.41
    1,3-propanediol 13.67
    bromobenzene 1.23
    dibromomethane 3.44
    1,1,2,2-tetrachloroethane 8.69
    2-methyl-cyclohexyl acetate 2.01
    tetrabutyl urea 2.2
    diisobutyl methanol 0.36
    2-phenylethanol 3.62
    styrene 0.44
    dioctyl adipate 2.7
    dimethyl sulfate 26.06
    ethyl butyrate 1.92
    methyl lactate 16.03
    butyl lactate 6.07
    diethyl carbonate 1.39
    propanediol butyl ether 13.88
    triethyl orthoformate 2.05
    p-tert-butyltoluene 0.36
    methyl 4-tert-butylbenzoate 7.29
    morpholine 21.4
    tert-butylamine 0.23
    n-dodecanol 0.52
    dimethoxymethane 33.09
    ethylene carbonate 10.79
    cyrene 20.28
    2-ethoxyethyl acetate 12.18
    2-ethylhexyl acetate 1.35
    1,2,4-trichlorobenzene 3.04
    4-methylpyridine 5.36
    dibutyl ether 0.76
    2,6-dimethyl-4-heptanol 0.36
    DEF 9.26
    dimethyl isosorbide 16.98
    tetrachloroethylene 7.41
    eugenol 8.25
    triacetin 10.52
    span 80 9.35
    1,4-butanediol 4.41
    1,1-dichloroethane 1.96
    2-methyl-1-pentanol 0.82
    methyl formate 33.11
    2-methyl-1-butanol 1.04
    n-decane 0.07
    butyronitrile 1.46
    3,7-dimethyl-1-octanol 0.88
    1-chlorooctane 0.41
    1-chlorotetradecane 0.12
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.03
    cyclooctane 0.03
    cyclopentanol 2.68
    tetrahydropyran 4.77
    tert-amyl methyl ether 0.84
    2,5,8-trioxanonane 18.33
    1-hexene 0.12
    2-isopropoxyethanol 7.29
    2,2,2-trifluoroethanol 30.13
    methyl butyrate 3.09

    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