Amaranthussaponin III

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  • Identifiers

    CAS number
    139742-11-3

    Molecular formula
    C47H72O19

    SMILES
    CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(CC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(=C)CC7)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)O)C(=O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.28%
    Spicy 32.33%
    Woody 32.18%
    Cooling 24.38%
    Sweet 24.26%
    Balsamic 20.99%
    Dry 19.75%
    Amber 19.55%
    Mint 19.45%
    Warm 19.03%

     

    Flavor
    Bitter 67.36%
    Odorless 30.74%
    Fatty 28.04%
    Sweet-like 26.81%
    Bland 25.12%
    Cedarleaf 22.17%
    Sweet 21.39%
    Patchouli 20.44%
    Mentholic 20.28%
    Ripe apricot 20.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    2.35 (strong acid)

    Molecular weight
    941.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2330°C

    Flash point

    • 251.71 ˚C est.

  • Synonyms

    • Amaranthussaponin III
    • Amaranthus saponin III
    • SCHEMBL29935172
    • CHEBI:191892
    • DTXSID401100358
    • 139742-11-3
    • 3,5-dihydroxy-6-[[2-hydroxy-4,4,6a,6b,14b-pentamethyl-11-methylidene-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid
    • 139742-11-3

  • Applications

    Amaranthussaponin III (CAS 139742-11-3) is a natural glycosidic saponin isolated from Amaranthus species. In industrial formulations, it is commonly evaluated as a natural surfactant and emulsifier with potential use in cosmetics and personal care products, household cleaners, and cleaning formulations; it can act as a foaming agent and stabilizer in foams and emulsions. The compound is considered as a surface-active additive in coatings and inks to improve wetting and pigment dispersion, and it may serve as an adjuvant or dispersing additive in agricultural formulations. It can also be explored as a processing aid or polymer-compatible component in plastics formulations. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.74
    methanol 39.19
    isopropanol 1.16
    water 0.12
    ethyl acetate 2.57
    n-propanol 1.93
    acetone 5.62
    n-butanol 0.8
    acetonitrile 1.86
    DMF 74.32
    toluene 0.58
    isobutanol 0.69
    1,4-dioxane 10.73
    methyl acetate 3.47
    THF 22.92
    2-butanone 3.12
    n-pentanol 0.6
    sec-butanol 0.66
    n-hexane 0.02
    ethylene glycol 8.98
    NMP 61.83
    cyclohexane 0.04
    DMSO 70.49
    n-butyl acetate 0.85
    n-octanol 0.58
    chloroform 3.71
    n-propyl acetate 0.99
    acetic acid 44.41
    dichloromethane 3.91
    cyclohexanone 3.75
    propylene glycol 7.46
    isopropyl acetate 1.34
    DMAc 47.75
    2-ethoxyethanol 10.39
    isopentanol 0.44
    n-heptane 0.04
    ethyl formate 2.95
    1,2-dichloroethane 1.92
    n-hexanol 0.52
    2-methoxyethanol 32.61
    isobutyl acetate 0.47
    tetrachloromethane 0.42
    n-pentyl acetate 1.47
    transcutol 17.37
    n-heptanol 0.74
    ethylbenzene 0.2
    MIBK 0.99
    2-propoxyethanol 10.47
    tert-butanol 0.74
    MTBE 0.56
    2-butoxyethanol 6.01
    propionic acid 4.48
    o-xylene 0.39
    formic acid 61.91
    diethyl ether 1.05
    m-xylene 0.38
    p-xylene 0.22
    chlorobenzene 0.61
    dimethyl carbonate 9.21
    n-octane 0.02
    formamide 41.91
    cyclopentanone 11.69
    2-pentanone 2.0
    anisole 1.24
    cyclopentyl methyl ether 2.74
    gamma-butyrolactone 20.16
    1-methoxy-2-propanol 15.53
    pyridine 6.03
    3-pentanone 1.77
    furfural 19.17
    n-dodecane 0.01
    diethylene glycol 17.87
    diisopropyl ether 0.19
    tert-amyl alcohol 0.55
    acetylacetone 7.97
    n-hexadecane 0.02
    acetophenone 1.89
    methyl propionate 4.59
    isopentyl acetate 0.63
    trichloroethylene 6.38
    n-nonanol 0.6
    cyclohexanol 0.58
    benzyl alcohol 1.74
    2-ethylhexanol 0.22
    isooctanol 0.45
    dipropyl ether 0.69
    1,2-dichlorobenzene 0.69
    ethyl lactate 2.36
    propylene carbonate 5.85
    n-methylformamide 30.61
    2-pentanol 0.37
    n-pentane 0.03
    1-propoxy-2-propanol 4.69
    1-methoxy-2-propyl acetate 4.31
    2-(2-methoxypropoxy) propanol 4.44
    mesitylene 0.19
    ε-caprolactone 4.45
    p-cymene 0.15
    epichlorohydrin 15.3
    1,1,1-trichloroethane 0.96
    2-aminoethanol 8.86
    morpholine-4-carbaldehyde 54.39
    sulfolane 45.71
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.14
    n-hexyl acetate 1.45
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.66
    sec-butyl acetate 0.52
    tert-butyl acetate 1.4
    decalin 0.02
    glycerin 26.14
    diglyme 15.05
    acrylic acid 10.81
    isopropyl myristate 0.31
    n-butyric acid 3.39
    acetyl acetate 3.46
    di(2-ethylhexyl) phthalate 0.78
    ethyl propionate 1.11
    nitromethane 57.68
    1,2-diethoxyethane 2.06
    benzonitrile 1.01
    trioctyl phosphate 0.51
    1-bromopropane 0.4
    gamma-valerolactone 36.1
    n-decanol 0.33
    triethyl phosphate 0.64
    4-methyl-2-pentanol 0.22
    propionitrile 0.99
    vinylene carbonate 6.86
    1,1,2-trichlorotrifluoroethane 32.68
    DMS 2.73
    cumene 0.12
    2-octanol 0.36
    2-hexanone 0.89
    octyl acetate 0.66
    limonene 0.2
    1,2-dimethoxyethane 10.66
    ethyl orthosilicate 0.55
    tributyl phosphate 0.43
    diacetone alcohol 4.15
    N,N-dimethylaniline 1.1
    acrylonitrile 3.0
    aniline 1.33
    1,3-propanediol 6.41
    bromobenzene 0.5
    dibromomethane 1.38
    1,1,2,2-tetrachloroethane 4.33
    2-methyl-cyclohexyl acetate 0.71
    tetrabutyl urea 0.86
    diisobutyl methanol 0.16
    2-phenylethanol 1.47
    styrene 0.24
    dioctyl adipate 0.84
    dimethyl sulfate 22.11
    ethyl butyrate 0.82
    methyl lactate 11.63
    butyl lactate 2.22
    diethyl carbonate 0.58
    propanediol butyl ether 7.0
    triethyl orthoformate 0.95
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 3.19
    morpholine 12.58
    tert-butylamine 0.19
    n-dodecanol 0.19
    dimethoxymethane 32.03
    ethylene carbonate 3.8
    cyrene 11.09
    2-ethoxyethyl acetate 4.55
    2-ethylhexyl acetate 0.46
    1,2,4-trichlorobenzene 1.23
    4-methylpyridine 2.74
    dibutyl ether 0.32
    2,6-dimethyl-4-heptanol 0.16
    DEF 4.96
    dimethyl isosorbide 8.97
    tetrachloroethylene 3.28
    eugenol 3.54
    triacetin 4.31
    span 80 4.4
    1,4-butanediol 2.34
    1,1-dichloroethane 0.98
    2-methyl-1-pentanol 0.33
    methyl formate 26.37
    2-methyl-1-butanol 0.46
    n-decane 0.03
    butyronitrile 0.57
    3,7-dimethyl-1-octanol 0.3
    1-chlorooctane 0.17
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.48
    tetrahydropyran 2.31
    tert-amyl methyl ether 0.57
    2,5,8-trioxanonane 8.94
    1-hexene 0.09
    2-isopropoxyethanol 3.48
    2,2,2-trifluoroethanol 14.02
    methyl butyrate 1.36

    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