Agavasaponin C'

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  • Identifiers

    CAS number
    56316-35-9

    Molecular formula
    C45H72O19

    SMILES
    C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)OC19CCC(CO9)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.1%
    Sweet 27.67%
    Cooling 25.37%
    Woody 24.72%
    Spicy 22.25%
    Mint 21.78%
    Vanilla 17.76%
    Milky 17.76%
    Warm 16.7%
    Savory 15.81%

     

    Flavor
    Bitter 50.31%
    Fatty 40.89%
    Sweet 37.76%
    Odorless 31.47%
    Sweet-like 28.41%
    Metallic 23.07%
    Cauliflower 21.9%
    Bland 21.34%
    Alkaline 21.29%
    Cedarleaf 21.13%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    3.88 (weak acid)

    Molecular weight
    917.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2274°C

    Flash point

    • 199.22 ˚C est.

  • Synonyms

    • Agavasaponin C'
    • RefChem:1076214
    • 56316-35-9
    • (1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
    • (2aS,4S,6aS,6bS,8aS,8bR,9S,11aS,12aS,12bR)-4-(((2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5',6a,8a,9-tetramethylicosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-8(2H)-one
    • CHEBI:180885
    • Spirostan-12-one, 3-((O-beta-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-
    • 56316-35-9

  • Applications

    Agavasaponin C' (CAS 56316-35-9) is a natural saponin glycoside with surface-active properties, typically considered a mild surfactant, emulsifier, and stabilizer. In practice, it may be used in cosmetics and personal care as a surfactant and emulsifier for skin and hair formulations; in household and cleaning products as a detergent active and emulsifying additive; in coatings and inks as a surfactant and wetting/dispersing additive to improve spread and stability; in polymer and plastics processing as a dispersant or surface-modifying agent; and in agriculture as an adjuvant or surfactant to improve spray coverage and dispersion on leaf surfaces. Actual uses depend on source, purity, and local regulatory constraints and should be evaluated within specific formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.62
    methanol 16.04
    isopropanol 0.56
    water 0.43
    ethyl acetate 2.81
    n-propanol 0.94
    acetone 6.19
    n-butanol 0.45
    acetonitrile 2.41
    DMF 47.95
    toluene 0.63
    isobutanol 0.37
    1,4-dioxane 10.12
    methyl acetate 3.6
    THF 17.14
    2-butanone 2.99
    n-pentanol 0.47
    sec-butanol 0.33
    n-hexane 0.02
    ethylene glycol 5.47
    NMP 55.17
    cyclohexane 0.04
    DMSO 69.9
    n-butyl acetate 1.24
    n-octanol 0.86
    chloroform 4.08
    n-propyl acetate 1.58
    acetic acid 40.25
    dichloromethane 4.59
    cyclohexanone 5.02
    propylene glycol 2.96
    isopropyl acetate 1.72
    DMAc 42.27
    2-ethoxyethanol 8.67
    isopentanol 0.28
    n-heptane 0.04
    ethyl formate 3.6
    1,2-dichloroethane 2.03
    n-hexanol 0.42
    2-methoxyethanol 18.36
    isobutyl acetate 0.8
    tetrachloromethane 0.53
    n-pentyl acetate 2.77
    transcutol 17.58
    n-heptanol 0.94
    ethylbenzene 0.24
    MIBK 1.15
    2-propoxyethanol 8.21
    tert-butanol 0.41
    MTBE 0.41
    2-butoxyethanol 7.15
    propionic acid 4.03
    o-xylene 0.46
    formic acid 58.07
    diethyl ether 0.77
    m-xylene 0.45
    p-xylene 0.35
    chlorobenzene 0.96
    dimethyl carbonate 10.3
    n-octane 0.03
    formamide 41.37
    cyclopentanone 12.83
    2-pentanone 2.01
    anisole 1.47
    cyclopentyl methyl ether 2.47
    gamma-butyrolactone 23.46
    1-methoxy-2-propanol 7.99
    pyridine 6.28
    3-pentanone 1.9
    furfural 30.31
    n-dodecane 0.02
    diethylene glycol 13.16
    diisopropyl ether 0.18
    tert-amyl alcohol 0.32
    acetylacetone 11.58
    n-hexadecane 0.03
    acetophenone 3.09
    methyl propionate 4.24
    isopentyl acetate 0.97
    trichloroethylene 7.77
    n-nonanol 0.92
    cyclohexanol 0.46
    benzyl alcohol 2.03
    2-ethylhexanol 0.26
    isooctanol 0.58
    dipropyl ether 0.72
    1,2-dichlorobenzene 1.15
    ethyl lactate 3.0
    propylene carbonate 8.54
    n-methylformamide 21.7
    2-pentanol 0.21
    n-pentane 0.02
    1-propoxy-2-propanol 4.11
    1-methoxy-2-propyl acetate 5.24
    2-(2-methoxypropoxy) propanol 5.33
    mesitylene 0.25
    ε-caprolactone 6.09
    p-cymene 0.26
    epichlorohydrin 16.23
    1,1,1-trichloroethane 1.18
    2-aminoethanol 4.53
    morpholine-4-carbaldehyde 52.11
    sulfolane 56.27
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.43
    n-hexyl acetate 2.65
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.27
    sec-butyl acetate 0.79
    tert-butyl acetate 1.68
    decalin 0.03
    glycerin 13.61
    diglyme 18.07
    acrylic acid 11.35
    isopropyl myristate 0.67
    n-butyric acid 3.32
    acetyl acetate 5.84
    di(2-ethylhexyl) phthalate 1.53
    ethyl propionate 1.49
    nitromethane 68.01
    1,2-diethoxyethane 2.79
    benzonitrile 1.97
    trioctyl phosphate 0.99
    1-bromopropane 0.38
    gamma-valerolactone 45.47
    n-decanol 0.53
    triethyl phosphate 1.07
    4-methyl-2-pentanol 0.17
    propionitrile 1.03
    vinylene carbonate 11.78
    1,1,2-trichlorotrifluoroethane 34.44
    DMS 4.35
    cumene 0.17
    2-octanol 0.45
    2-hexanone 1.27
    octyl acetate 1.34
    limonene 0.3
    1,2-dimethoxyethane 10.03
    ethyl orthosilicate 0.86
    tributyl phosphate 0.87
    diacetone alcohol 3.92
    N,N-dimethylaniline 1.16
    acrylonitrile 3.36
    aniline 1.39
    1,3-propanediol 3.84
    bromobenzene 0.84
    dibromomethane 1.54
    1,1,2,2-tetrachloroethane 4.44
    2-methyl-cyclohexyl acetate 1.19
    tetrabutyl urea 1.69
    diisobutyl methanol 0.17
    2-phenylethanol 1.82
    styrene 0.33
    dioctyl adipate 1.86
    dimethyl sulfate 26.76
    ethyl butyrate 1.25
    methyl lactate 10.12
    butyl lactate 3.69
    diethyl carbonate 0.97
    propanediol butyl ether 7.32
    triethyl orthoformate 1.43
    p-tert-butyltoluene 0.25
    methyl 4-tert-butylbenzoate 5.24
    morpholine 8.96
    tert-butylamine 0.11
    n-dodecanol 0.31
    dimethoxymethane 20.72
    ethylene carbonate 6.16
    cyrene 12.9
    2-ethoxyethyl acetate 8.01
    2-ethylhexyl acetate 0.76
    1,2,4-trichlorobenzene 1.9
    4-methylpyridine 3.34
    dibutyl ether 0.49
    2,6-dimethyl-4-heptanol 0.17
    DEF 5.3
    dimethyl isosorbide 11.44
    tetrachloroethylene 3.67
    eugenol 5.38
    triacetin 8.11
    span 80 5.46
    1,4-butanediol 1.97
    1,1-dichloroethane 1.02
    2-methyl-1-pentanol 0.26
    methyl formate 22.88
    2-methyl-1-butanol 0.26
    n-decane 0.05
    butyronitrile 0.62
    3,7-dimethyl-1-octanol 0.43
    1-chlorooctane 0.26
    1-chlorotetradecane 0.09
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.07
    tetrahydropyran 1.92
    tert-amyl methyl ether 0.42
    2,5,8-trioxanonane 11.5
    1-hexene 0.07
    2-isopropoxyethanol 3.67
    2,2,2-trifluoroethanol 20.53
    methyl butyrate 1.94

    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