Platycodin D

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  • Identifiers

    CAS number
    58479-68-8

    Molecular formula
    C57H92O28

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 63.6%
    Sweet 38.64%
    Woody 31.29%
    Cooling 25.06%
    Spicy 22.7%
    Mint 20.58%
    Balsamic 19.94%
    Vanilla 19.39%
    Warm 18.94%
    Dry 18.17%

     

    Flavor
    Bitter 57.47%
    Sweet 40.31%
    Odorless 36.52%
    Fatty 34.86%
    Sweet-like 29.82%
    Bland 25.33%
    Cedarleaf 20.86%
    Cauliflower 20.77%
    Alkaline 20.41%
    Patchouli 20.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -3.7

    pKa est.
    2.18 (strong acid)

    Molecular weight
    1225.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3922°C

    Flash point

    • 216.48 ˚C est.

  • Synonyms

    • Platycodin D
    • 58479-68-8
    • CWJ06TA2GI
    • SINGLEEX PLATYCODIN D 98
    • DTXSID901021773
    • RefChem:174823
    • DTXCID601506746
    • ((2S,3R,4S,5S)-3-((2S,3R,4S,5R,6S)-5-((2S,3R,4S,5R)-4-((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy-3,5-dihydroxyoxan-2-yl)oxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl) (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
    • PlatycodinD
    • UNII-CWJ06TA2GI
    • C57H92O28
    • Platycodin-D
    • Platycodin D CRS
    • MFCD09952590
    • orb1303602
    • CHEMBL1641859
    • SCHEMBL23500390
    • CHEBI:70436
    • GLXC-02571
    • HMS3887G11
    • HY-N1411
    • MSK14996
    • s9304
    • AKOS037514784
    • CCG-270661
    • EBC-516162
    • FP73789
    • AC-34319
    • BS-14123
    • CS-0016836
    • NS00120886
    • C17410
    • 479P688
    • Q15425261
    • Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-, O-D-apio-beta-D-furanosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-L-arabinopyranosyl ester, (2beta,3beta,16alpha)-
    • 58479-68-8

  • Applications

    Platycodin D (CAS 58479-68-8) is a triterpenoid saponin derived from Platycodon grandiflorus and is commonly used as a natural surfactant and emulsifier in a range of formulations. In cosmetics and personal care, it acts as a surfactant and mild emulsifier; in household cleaning products, it supports wetting and foaming; in agricultural formulations, it can function as an adjuvant and surfactant to improve spray coverage; in coatings, inks, and adhesives, it serves as a surface-active additive to aid dispersion and stability; and in pharmaceutical research, it is used as a lead compound and reference material for saponin chemistry and structure–activity studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.8
    methanol 45.77
    isopropanol 0.85
    water 0.32
    ethyl acetate 2.97
    n-propanol 1.78
    acetone 4.77
    n-butanol 0.81
    acetonitrile 2.45
    DMF 87.13
    toluene 0.73
    isobutanol 0.66
    1,4-dioxane 10.51
    methyl acetate 3.91
    THF 17.72
    2-butanone 3.12
    n-pentanol 0.62
    sec-butanol 0.63
    n-hexane 0.02
    ethylene glycol 10.61
    NMP 89.63
    cyclohexane 0.06
    DMSO 58.55
    n-butyl acetate 1.08
    n-octanol 0.81
    chloroform 6.15
    n-propyl acetate 1.18
    acetic acid 51.88
    dichloromethane 5.8
    cyclohexanone 4.84
    propylene glycol 8.17
    isopropyl acetate 1.54
    DMAc 59.17
    2-ethoxyethanol 11.33
    isopentanol 0.46
    n-heptane 0.04
    ethyl formate 4.1
    1,2-dichloroethane 2.32
    n-hexanol 0.59
    2-methoxyethanol 35.07
    isobutyl acetate 0.59
    tetrachloromethane 0.6
    n-pentyl acetate 2.11
    transcutol 18.98
    n-heptanol 1.05
    ethylbenzene 0.25
    MIBK 1.06
    2-propoxyethanol 12.07
    tert-butanol 0.64
    MTBE 0.53
    2-butoxyethanol 8.33
    propionic acid 5.82
    o-xylene 0.52
    formic acid 110.0
    diethyl ether 0.98
    m-xylene 0.52
    p-xylene 0.31
    chlorobenzene 0.89
    dimethyl carbonate 13.07
    n-octane 0.03
    formamide 65.73
    cyclopentanone 12.64
    2-pentanone 2.13
    anisole 1.54
    cyclopentyl methyl ether 3.14
    gamma-butyrolactone 25.62
    1-methoxy-2-propanol 15.88
    pyridine 7.6
    3-pentanone 2.04
    furfural 32.56
    n-dodecane 0.02
    diethylene glycol 21.17
    diisopropyl ether 0.18
    tert-amyl alcohol 0.55
    acetylacetone 8.64
    n-hexadecane 0.02
    acetophenone 2.7
    methyl propionate 5.57
    isopentyl acetate 0.9
    trichloroethylene 9.71
    n-nonanol 0.84
    cyclohexanol 0.75
    benzyl alcohol 2.38
    2-ethylhexanol 0.31
    isooctanol 0.62
    dipropyl ether 0.75
    1,2-dichlorobenzene 1.13
    ethyl lactate 3.61
    propylene carbonate 9.58
    n-methylformamide 40.78
    2-pentanol 0.38
    n-pentane 0.03
    1-propoxy-2-propanol 5.58
    1-methoxy-2-propyl acetate 5.77
    2-(2-methoxypropoxy) propanol 6.3
    mesitylene 0.27
    ε-caprolactone 6.69
    p-cymene 0.24
    epichlorohydrin 18.26
    1,1,1-trichloroethane 1.21
    2-aminoethanol 10.67
    morpholine-4-carbaldehyde 81.84
    sulfolane 59.62
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.07
    n-hexyl acetate 2.11
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.56
    sec-butyl acetate 0.63
    tert-butyl acetate 1.67
    decalin 0.03
    glycerin 34.41
    diglyme 19.13
    acrylic acid 16.32
    isopropyl myristate 0.44
    n-butyric acid 4.57
    acetyl acetate 4.42
    di(2-ethylhexyl) phthalate 1.25
    ethyl propionate 1.41
    nitromethane 78.63
    1,2-diethoxyethane 2.35
    benzonitrile 1.75
    trioctyl phosphate 0.8
    1-bromopropane 0.45
    gamma-valerolactone 50.48
    n-decanol 0.46
    triethyl phosphate 1.09
    4-methyl-2-pentanol 0.25
    propionitrile 1.25
    vinylene carbonate 13.62
    1,1,2-trichlorotrifluoroethane 55.79
    DMS 3.99
    cumene 0.16
    2-octanol 0.44
    2-hexanone 1.0
    octyl acetate 0.97
    limonene 0.32
    1,2-dimethoxyethane 11.3
    ethyl orthosilicate 0.91
    tributyl phosphate 0.67
    diacetone alcohol 4.71
    N,N-dimethylaniline 1.45
    acrylonitrile 4.3
    aniline 1.68
    1,3-propanediol 6.91
    bromobenzene 0.75
    dibromomethane 1.86
    1,1,2,2-tetrachloroethane 6.0
    2-methyl-cyclohexyl acetate 1.13
    tetrabutyl urea 1.29
    diisobutyl methanol 0.2
    2-phenylethanol 2.04
    styrene 0.31
    dioctyl adipate 1.29
    dimethyl sulfate 31.75
    ethyl butyrate 1.11
    methyl lactate 17.33
    butyl lactate 3.71
    diethyl carbonate 0.87
    propanediol butyl ether 9.63
    triethyl orthoformate 1.46
    p-tert-butyltoluene 0.26
    methyl 4-tert-butylbenzoate 5.14
    morpholine 13.68
    tert-butylamine 0.18
    n-dodecanol 0.26
    dimethoxymethane 32.42
    ethylene carbonate 6.92
    cyrene 17.24
    2-ethoxyethyl acetate 6.24
    2-ethylhexyl acetate 0.7
    1,2,4-trichlorobenzene 1.89
    4-methylpyridine 3.47
    dibutyl ether 0.38
    2,6-dimethyl-4-heptanol 0.2
    DEF 7.1
    dimethyl isosorbide 13.41
    tetrachloroethylene 4.84
    eugenol 5.95
    triacetin 6.9
    span 80 6.21
    1,4-butanediol 2.68
    1,1-dichloroethane 1.11
    2-methyl-1-pentanol 0.38
    methyl formate 35.22
    2-methyl-1-butanol 0.51
    n-decane 0.05
    butyronitrile 0.76
    3,7-dimethyl-1-octanol 0.42
    1-chlorooctane 0.23
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.69
    tetrahydropyran 2.35
    tert-amyl methyl ether 0.65
    2,5,8-trioxanonane 11.66
    1-hexene 0.08
    2-isopropoxyethanol 4.08
    2,2,2-trifluoroethanol 22.74
    methyl butyrate 1.81

    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