Esculentoside E

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  • Identifiers

    CAS number
    65649-36-7

    Molecular formula
    C35H54O11

    SMILES
    C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 52.31%
    Woody 45.45%
    Spicy 34.64%
    Balsamic 32.18%
    Cooling 29.45%
    Amber 28.48%
    Dry 27.18%
    Cedar 24.37%
    Sweet 23.92%
    Mint 23.67%

     

    Flavor
    Bitter 66.45%
    Odorless 30.27%
    Sweet-like 25.41%
    Bland 23.34%
    Fatty 23.29%
    Cedarleaf 22.42%
    Patchouli 21.59%
    Sweet 21.21%
    Soil 21.19%
    Ripe apricot 21.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    3.08 (weak acid)

    Molecular weight
    650.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    672°C

    Flash point

    • 328.44 ˚C est.

  • Synonyms

    • Esculentoside E
    • RefChem:137847
    • Phytolaccoside G
    • 65649-36-7
    • (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
    • orb1992176
    • DTXSID70984207
    • Phytolaccoside G (Esculentoside E)
    • (2S,4Ar,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
    • AKOS040734576
    • NS00093712
    • 2,23-Dihydroxy-3-(pentopyranosyloxy)olean-12-ene-28,29-dioic acid
    • (5xi)-2beta,23-Dihydroxy-3beta-(beta-D-xylopyranosyloxy)-18alpha-olean-12-ene-28,29-dioic acid
    • Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-(beta-D-xylopyranosyloxy)-, (2beta,3beta,4alpha,20beta)-
    • 65649-36-7

  • Applications

    Esculentoside E, a plant-derived glycoside saponin, is recognized for surfactant and emulsifying properties; potential applications include acting as a surfactant and foaming agent in cosmetics and personal care, in household cleaning products, as a surface-active component for coatings and inks, and as an agricultural adjuvant to improve spray deposition and uptake; it is also being studied as a bio-based surfactant for polymer processing and other industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.17
    methanol 41.27
    isopropanol 1.59
    water 0.07
    ethyl acetate 1.34
    n-propanol 3.15
    acetone 3.34
    n-butanol 1.41
    acetonitrile 0.64
    DMF 44.05
    toluene 0.41
    isobutanol 0.94
    1,4-dioxane 11.78
    methyl acetate 1.65
    THF 23.24
    2-butanone 2.02
    n-pentanol 0.83
    sec-butanol 0.81
    n-hexane 0.02
    ethylene glycol 7.89
    NMP 32.17
    cyclohexane 0.04
    DMSO 40.36
    n-butyl acetate 0.54
    n-octanol 0.54
    chloroform 2.01
    n-propyl acetate 0.52
    acetic acid 19.57
    dichloromethane 1.87
    cyclohexanone 3.05
    propylene glycol 8.47
    isopropyl acetate 0.81
    DMAc 23.9
    2-ethoxyethanol 11.88
    isopentanol 0.63
    n-heptane 0.03
    ethyl formate 1.92
    1,2-dichloroethane 1.02
    n-hexanol 0.71
    2-methoxyethanol 38.99
    isobutyl acetate 0.24
    tetrachloromethane 0.31
    n-pentyl acetate 1.06
    transcutol 12.71
    n-heptanol 0.85
    ethylbenzene 0.15
    MIBK 0.71
    2-propoxyethanol 12.63
    tert-butanol 0.92
    MTBE 0.53
    2-butoxyethanol 6.77
    propionic acid 3.31
    o-xylene 0.28
    formic acid 30.15
    diethyl ether 1.04
    m-xylene 0.28
    p-xylene 0.14
    chlorobenzene 0.31
    dimethyl carbonate 4.0
    n-octane 0.02
    formamide 23.39
    cyclopentanone 8.73
    2-pentanone 1.53
    anisole 0.78
    cyclopentyl methyl ether 2.38
    gamma-butyrolactone 10.98
    1-methoxy-2-propanol 17.14
    pyridine 4.14
    3-pentanone 1.09
    furfural 10.06
    n-dodecane 0.01
    diethylene glycol 16.85
    diisopropyl ether 0.15
    tert-amyl alcohol 0.66
    acetylacetone 3.57
    n-hexadecane 0.01
    acetophenone 0.95
    methyl propionate 2.49
    isopentyl acetate 0.43
    trichloroethylene 2.65
    n-nonanol 0.55
    cyclohexanol 0.74
    benzyl alcohol 1.39
    2-ethylhexanol 0.23
    isooctanol 0.49
    dipropyl ether 0.51
    1,2-dichlorobenzene 0.31
    ethyl lactate 1.35
    propylene carbonate 2.93
    n-methylformamide 20.31
    2-pentanol 0.48
    n-pentane 0.03
    1-propoxy-2-propanol 4.54
    1-methoxy-2-propyl acetate 2.77
    2-(2-methoxypropoxy) propanol 3.16
    mesitylene 0.15
    ε-caprolactone 3.39
    p-cymene 0.1
    epichlorohydrin 10.24
    1,1,1-trichloroethane 0.39
    2-aminoethanol 11.62
    morpholine-4-carbaldehyde 39.43
    sulfolane 23.22
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.85
    n-hexyl acetate 1.11
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.59
    sec-butyl acetate 0.27
    tert-butyl acetate 0.88
    decalin 0.02
    glycerin 24.47
    diglyme 12.1
    acrylic acid 6.31
    isopropyl myristate 0.2
    n-butyric acid 3.02
    acetyl acetate 1.28
    di(2-ethylhexyl) phthalate 0.55
    ethyl propionate 0.6
    nitromethane 18.26
    1,2-diethoxyethane 1.64
    benzonitrile 0.5
    trioctyl phosphate 0.38
    1-bromopropane 0.3
    gamma-valerolactone 28.69
    n-decanol 0.27
    triethyl phosphate 0.33
    4-methyl-2-pentanol 0.27
    propionitrile 0.53
    vinylene carbonate 3.45
    1,1,2-trichlorotrifluoroethane 18.58
    DMS 1.52
    cumene 0.09
    2-octanol 0.34
    2-hexanone 0.6
    octyl acetate 0.44
    limonene 0.14
    1,2-dimethoxyethane 9.84
    ethyl orthosilicate 0.33
    tributyl phosphate 0.28
    diacetone alcohol 2.87
    N,N-dimethylaniline 0.72
    acrylonitrile 1.3
    aniline 1.08
    1,3-propanediol 10.8
    bromobenzene 0.22
    dibromomethane 0.77
    1,1,2,2-tetrachloroethane 2.14
    2-methyl-cyclohexyl acetate 0.41
    tetrabutyl urea 0.53
    diisobutyl methanol 0.14
    2-phenylethanol 1.24
    styrene 0.16
    dioctyl adipate 0.5
    dimethyl sulfate 8.7
    ethyl butyrate 0.45
    methyl lactate 7.01
    butyl lactate 1.97
    diethyl carbonate 0.28
    propanediol butyl ether 6.95
    triethyl orthoformate 0.52
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 2.05
    morpholine 16.01
    tert-butylamine 0.25
    n-dodecanol 0.14
    dimethoxymethane 24.05
    ethylene carbonate 2.24
    cyrene 6.68
    2-ethoxyethyl acetate 3.39
    2-ethylhexyl acetate 0.3
    1,2,4-trichlorobenzene 0.56
    4-methylpyridine 1.72
    dibutyl ether 0.23
    2,6-dimethyl-4-heptanol 0.14
    DEF 3.7
    dimethyl isosorbide 5.48
    tetrachloroethylene 1.91
    eugenol 2.53
    triacetin 2.29
    span 80 3.69
    1,4-butanediol 2.88
    1,1-dichloroethane 0.47
    2-methyl-1-pentanol 0.41
    methyl formate 13.69
    2-methyl-1-butanol 0.67
    n-decane 0.02
    butyronitrile 0.43
    3,7-dimethyl-1-octanol 0.27
    1-chlorooctane 0.12
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.67
    tetrahydropyran 2.43
    tert-amyl methyl ether 0.5
    2,5,8-trioxanonane 6.28
    1-hexene 0.08
    2-isopropoxyethanol 3.65
    2,2,2-trifluoroethanol 5.76
    methyl butyrate 0.8

    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