gypenoside IX

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  • Identifiers

    CAS number
    80321-63-7

    Molecular formula
    C47H80O17

    SMILES
    CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 47.85%
    Odorless 44.85%
    Sweet 39.49%
    Spicy 32.76%
    Amber 28.93%
    Balsamic 28.54%
    Mint 28.11%
    Cooling 27.0%
    Dry 25.55%
    Sandalwood 25.02%

     

    Flavor
    Bitter 45.67%
    Sweet 34.45%
    Odorless 28.54%
    Fatty 28.11%
    Sweet-like 25.58%
    Cedarleaf 21.76%
    Herbal 21.34%
    Mentholic 21.29%
    Bland 21.26%
    Patchouli 21.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    4.13 (weak acid)

    Molecular weight
    917.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2128°C

    Flash point

    • 240.71 ˚C est.

  • Synonyms

    • 80321-63-7
    • Gypenoside IX
    • DTXSID001317599
    • RefChem:922652
    • DTXCID001747405
    • STEVENLEAF
    • ginsenoside C-Mx1
    • Ginsenoside C-Mx1; Gynosaponin I; Gypenoside IX
    • orb1300690
    • CHEMBL1095009
    • SCHEMBL29580076
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
    • HY-N0167
    • BDBM50317535
    • s2306
    • AKOS022168210
    • CCG-270573
    • CS-5342
    • EBC-616201
    • OG44044
    • NCGC00386168-01
    • (2S,3R,4S,5S,6R)-2-{[(2S)-2-[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl]oxy}-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
    • AC-34770
    • DA-67789
    • MS-31714
    • BRD-K58775955-001-02-4
    • 12beta-Hydroxy-20-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammar-24-en-3beta-yl beta-D-glucopyranoside
    • 80321-63-7

  • Applications

    Gypenoside IX (CAS 80321-63-7) is a triterpenoid saponin with surface-active properties, and is commonly explored as a natural surfactant/emulsifier and foaming agent in cosmetics and personal care, as well as in household cleaning formulations; it can function as an emulsifier or stabilizer in polymer systems and is often evaluated as a pharmaceutical excipient or research reagent; additionally, it is considered as a natural surfactant or adjuvant in agricultural formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.63
    methanol 16.01
    isopropanol 0.45
    water 0.1
    ethyl acetate 1.52
    n-propanol 0.89
    acetone 3.5
    n-butanol 0.38
    acetonitrile 1.15
    DMF 30.24
    toluene 0.44
    isobutanol 0.35
    1,4-dioxane 6.92
    methyl acetate 1.86
    THF 12.34
    2-butanone 1.86
    n-pentanol 0.39
    sec-butanol 0.29
    n-hexane 0.02
    ethylene glycol 3.18
    NMP 32.65
    cyclohexane 0.04
    DMSO 37.74
    n-butyl acetate 0.74
    n-octanol 0.67
    chloroform 2.93
    n-propyl acetate 0.81
    acetic acid 20.31
    dichloromethane 2.76
    cyclohexanone 2.82
    propylene glycol 2.3
    isopropyl acetate 0.99
    DMAc 26.05
    2-ethoxyethanol 6.68
    isopentanol 0.25
    n-heptane 0.03
    ethyl formate 1.79
    1,2-dichloroethane 1.21
    n-hexanol 0.37
    2-methoxyethanol 13.57
    isobutyl acetate 0.47
    tetrachloromethane 0.37
    n-pentyl acetate 1.68
    transcutol 13.1
    n-heptanol 0.79
    ethylbenzene 0.2
    MIBK 0.8
    2-propoxyethanol 6.95
    tert-butanol 0.37
    MTBE 0.39
    2-butoxyethanol 5.85
    propionic acid 2.37
    o-xylene 0.31
    formic acid 25.73
    diethyl ether 0.64
    m-xylene 0.33
    p-xylene 0.25
    chlorobenzene 0.56
    dimethyl carbonate 4.64
    n-octane 0.02
    formamide 17.85
    cyclopentanone 7.08
    2-pentanone 1.34
    anisole 1.12
    cyclopentyl methyl ether 1.89
    gamma-butyrolactone 10.7
    1-methoxy-2-propanol 6.43
    pyridine 3.95
    3-pentanone 1.23
    furfural 13.93
    n-dodecane 0.02
    diethylene glycol 9.08
    diisopropyl ether 0.15
    tert-amyl alcohol 0.31
    acetylacetone 5.38
    n-hexadecane 0.02
    acetophenone 1.79
    methyl propionate 2.5
    isopentyl acetate 0.68
    trichloroethylene 4.51
    n-nonanol 0.7
    cyclohexanol 0.34
    benzyl alcohol 1.37
    2-ethylhexanol 0.23
    isooctanol 0.52
    dipropyl ether 0.6
    1,2-dichlorobenzene 0.65
    ethyl lactate 1.65
    propylene carbonate 3.86
    n-methylformamide 12.27
    2-pentanol 0.18
    n-pentane 0.02
    1-propoxy-2-propanol 3.25
    1-methoxy-2-propyl acetate 3.48
    2-(2-methoxypropoxy) propanol 4.21
    mesitylene 0.18
    ε-caprolactone 3.29
    p-cymene 0.2
    epichlorohydrin 9.39
    1,1,1-trichloroethane 0.7
    2-aminoethanol 3.87
    morpholine-4-carbaldehyde 32.07
    sulfolane 27.6
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.83
    n-hexyl acetate 1.65
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.23
    sec-butyl acetate 0.47
    tert-butyl acetate 1.1
    decalin 0.02
    glycerin 8.77
    diglyme 13.17
    acrylic acid 5.53
    isopropyl myristate 0.39
    n-butyric acid 1.9
    acetyl acetate 2.55
    di(2-ethylhexyl) phthalate 0.94
    ethyl propionate 0.83
    nitromethane 28.5
    1,2-diethoxyethane 2.01
    benzonitrile 0.97
    trioctyl phosphate 0.59
    1-bromopropane 0.27
    gamma-valerolactone 25.6
    n-decanol 0.38
    triethyl phosphate 0.67
    4-methyl-2-pentanol 0.15
    propionitrile 0.62
    vinylene carbonate 5.14
    1,1,2-trichlorotrifluoroethane 20.23
    DMS 2.17
    cumene 0.14
    2-octanol 0.37
    2-hexanone 0.82
    octyl acetate 0.77
    limonene 0.23
    1,2-dimethoxyethane 7.45
    ethyl orthosilicate 0.6
    tributyl phosphate 0.47
    diacetone alcohol 2.63
    N,N-dimethylaniline 0.99
    acrylonitrile 1.77
    aniline 0.79
    1,3-propanediol 2.73
    bromobenzene 0.49
    dibromomethane 1.06
    1,1,2,2-tetrachloroethane 2.75
    2-methyl-cyclohexyl acetate 0.82
    tetrabutyl urea 0.93
    diisobutyl methanol 0.15
    2-phenylethanol 1.37
    styrene 0.23
    dioctyl adipate 1.01
    dimethyl sulfate 11.57
    ethyl butyrate 0.76
    methyl lactate 5.37
    butyl lactate 2.23
    diethyl carbonate 0.52
    propanediol butyl ether 5.86
    triethyl orthoformate 0.94
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.5
    morpholine 6.58
    tert-butylamine 0.11
    n-dodecanol 0.21
    dimethoxymethane 14.88
    ethylene carbonate 2.85
    cyrene 8.73
    2-ethoxyethyl acetate 4.69
    2-ethylhexyl acetate 0.52
    1,2,4-trichlorobenzene 1.08
    4-methylpyridine 1.86
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.15
    DEF 3.24
    dimethyl isosorbide 8.28
    tetrachloroethylene 2.4
    eugenol 3.81
    triacetin 4.48
    span 80 3.8
    1,4-butanediol 1.32
    1,1-dichloroethane 0.63
    2-methyl-1-pentanol 0.25
    methyl formate 11.44
    2-methyl-1-butanol 0.25
    n-decane 0.04
    butyronitrile 0.4
    3,7-dimethyl-1-octanol 0.34
    1-chlorooctane 0.19
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 0.74
    tetrahydropyran 1.46
    tert-amyl methyl ether 0.39
    2,5,8-trioxanonane 8.19
    1-hexene 0.07
    2-isopropoxyethanol 2.79
    2,2,2-trifluoroethanol 8.15
    methyl butyrate 1.03

    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