Congmuyenoside A

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  • Identifiers

    CAS number
    171828-79-8

    Molecular formula
    C48H78O19

    SMILES
    C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.02%
    Woody 36.77%
    Sweet 29.25%
    Spicy 27.48%
    Cooling 27.02%
    Amber 25.3%
    Balsamic 24.85%
    Dry 23.57%
    Mint 22.91%
    Warm 20.9%

     

    Flavor
    Bitter 52.63%
    Sweet 38.58%
    Odorless 34.28%
    Fatty 31.72%
    Sweet-like 27.99%
    Bland 23.45%
    Cedarleaf 21.6%
    Patchouli 21.3%
    Mentholic 20.98%
    Cauliflower 20.92%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    2.71 (strong acid)

    Molecular weight
    959.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2714°C

    Flash point

    • 258.2 ˚C est.

  • Synonyms

    • Congmuyenoside A
    • RefChem:918976
    • 3-O-(glucopyranosyl(1-2))(glucopyranosyl(1-3))-glucopyranosyl hederagenin
    • (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-((2R,3R,4S,5R,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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • 171828-79-8
    • 171828-79-8

  • Applications

    Congmuyenoside A (CAS 171828-79-8) is a natural product–derived compound that may find use in several practical applications. In cosmetics and personal care, it may serve as an ingredient or a mild surfactant. In perfumery and fragrance, it may be evaluated as a fragrance component or aroma precursor. In household products, it may function as a surfactant or emulsifier in cleaning formulations. In industrial manufacturing, it may be used as an intermediate for the synthesis of derivatives. In pharmaceutical research, it may be considered for structure-activity studies or as a reference standard in lead-derivative development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.01
    methanol 11.92
    isopropanol 0.28
    water 0.07
    ethyl acetate 0.65
    n-propanol 0.49
    acetone 1.8
    n-butanol 0.19
    acetonitrile 0.6
    DMF 24.52
    toluene 0.23
    isobutanol 0.18
    1,4-dioxane 4.05
    methyl acetate 0.98
    THF 6.35
    2-butanone 0.94
    n-pentanol 0.18
    sec-butanol 0.16
    n-hexane 0.01
    ethylene glycol 2.58
    NMP 18.94
    cyclohexane 0.02
    DMSO 22.04
    n-butyl acetate 0.31
    n-octanol 0.27
    chloroform 1.08
    n-propyl acetate 0.37
    acetic acid 9.44
    dichloromethane 1.11
    cyclohexanone 1.14
    propylene glycol 1.8
    isopropyl acetate 0.39
    DMAc 17.43
    2-ethoxyethanol 3.37
    isopentanol 0.11
    n-heptane 0.02
    ethyl formate 0.82
    1,2-dichloroethane 0.57
    n-hexanol 0.15
    2-methoxyethanol 8.59
    isobutyl acetate 0.2
    tetrachloromethane 0.15
    n-pentyl acetate 0.69
    transcutol 7.49
    n-heptanol 0.31
    ethylbenzene 0.09
    MIBK 0.34
    2-propoxyethanol 3.39
    tert-butanol 0.2
    MTBE 0.18
    2-butoxyethanol 2.55
    propionic acid 1.15
    o-xylene 0.17
    formic acid 18.43
    diethyl ether 0.32
    m-xylene 0.17
    p-xylene 0.12
    chlorobenzene 0.21
    dimethyl carbonate 2.78
    n-octane 0.01
    formamide 12.91
    cyclopentanone 3.36
    2-pentanone 0.59
    anisole 0.51
    cyclopentyl methyl ether 0.87
    gamma-butyrolactone 5.23
    1-methoxy-2-propanol 3.82
    pyridine 2.07
    3-pentanone 0.61
    furfural 7.26
    n-dodecane 0.01
    diethylene glycol 6.03
    diisopropyl ether 0.07
    tert-amyl alcohol 0.15
    acetylacetone 2.5
    n-hexadecane 0.01
    acetophenone 0.88
    methyl propionate 1.31
    isopentyl acetate 0.24
    trichloroethylene 1.89
    n-nonanol 0.28
    cyclohexanol 0.16
    benzyl alcohol 0.63
    2-ethylhexanol 0.08
    isooctanol 0.2
    dipropyl ether 0.3
    1,2-dichlorobenzene 0.26
    ethyl lactate 0.89
    propylene carbonate 1.52
    n-methylformamide 8.81
    2-pentanol 0.09
    n-pentane 0.01
    1-propoxy-2-propanol 1.76
    1-methoxy-2-propyl acetate 1.69
    2-(2-methoxypropoxy) propanol 2.11
    mesitylene 0.1
    ε-caprolactone 1.27
    p-cymene 0.08
    epichlorohydrin 4.27
    1,1,1-trichloroethane 0.26
    2-aminoethanol 2.3
    morpholine-4-carbaldehyde 19.25
    sulfolane 14.03
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.79
    n-hexyl acetate 0.65
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.06
    sec-butyl acetate 0.19
    tert-butyl acetate 0.48
    decalin 0.01
    glycerin 6.93
    diglyme 6.74
    acrylic acid 3.08
    isopropyl myristate 0.16
    n-butyric acid 0.72
    acetyl acetate 1.0
    di(2-ethylhexyl) phthalate 0.38
    ethyl propionate 0.39
    nitromethane 15.43
    1,2-diethoxyethane 1.04
    benzonitrile 0.41
    trioctyl phosphate 0.23
    1-bromopropane 0.12
    gamma-valerolactone 11.9
    n-decanol 0.16
    triethyl phosphate 0.27
    4-methyl-2-pentanol 0.07
    propionitrile 0.31
    vinylene carbonate 2.05
    1,1,2-trichlorotrifluoroethane 11.0
    DMS 1.15
    cumene 0.06
    2-octanol 0.16
    2-hexanone 0.38
    octyl acetate 0.32
    limonene 0.1
    1,2-dimethoxyethane 4.21
    ethyl orthosilicate 0.24
    tributyl phosphate 0.18
    diacetone alcohol 1.32
    N,N-dimethylaniline 0.5
    acrylonitrile 0.95
    aniline 0.42
    1,3-propanediol 1.48
    bromobenzene 0.19
    dibromomethane 0.42
    1,1,2,2-tetrachloroethane 1.28
    2-methyl-cyclohexyl acetate 0.31
    tetrabutyl urea 0.44
    diisobutyl methanol 0.06
    2-phenylethanol 0.58
    styrene 0.11
    dioctyl adipate 0.42
    dimethyl sulfate 7.1
    ethyl butyrate 0.33
    methyl lactate 3.35
    butyl lactate 1.02
    diethyl carbonate 0.23
    propanediol butyl ether 3.09
    triethyl orthoformate 0.43
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.66
    morpholine 3.7
    tert-butylamine 0.06
    n-dodecanol 0.09
    dimethoxymethane 10.21
    ethylene carbonate 1.07
    cyrene 4.96
    2-ethoxyethyl acetate 2.1
    2-ethylhexyl acetate 0.18
    1,2,4-trichlorobenzene 0.44
    4-methylpyridine 0.9
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.06
    DEF 1.6
    dimethyl isosorbide 4.27
    tetrachloroethylene 1.12
    eugenol 1.78
    triacetin 2.03
    span 80 1.9
    1,4-butanediol 0.74
    1,1-dichloroethane 0.26
    2-methyl-1-pentanol 0.1
    methyl formate 8.28
    2-methyl-1-butanol 0.11
    n-decane 0.02
    butyronitrile 0.17
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.08
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.37
    tetrahydropyran 0.69
    tert-amyl methyl ether 0.18
    2,5,8-trioxanonane 4.36
    1-hexene 0.04
    2-isopropoxyethanol 1.37
    2,2,2-trifluoroethanol 3.92
    methyl butyrate 0.48

    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