Notoginsenoside A

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  • Identifiers

    CAS number
    193895-21-5

    Molecular formula
    C54H92O24

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@](C)(C/C=C/C(C)(C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)C)O)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)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 57.79%
    Sweet 37.62%
    Woody 34.97%
    Cooling 26.98%
    Mint 25.47%
    Spicy 23.3%
    Balsamic 22.68%
    Amber 22.28%
    Dry 20.71%
    Warm 20.35%

     

    Flavor
    Bitter 48.26%
    Sweet 42.43%
    Odorless 35.18%
    Fatty 30.36%
    Sweet-like 27.66%
    Bland 21.42%
    Mentholic 21.17%
    Cedarleaf 21.17%
    Clary 20.73%
    Patchouli 20.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    3.97 (weak acid)

    Molecular weight
    1125.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3548°C

    Flash point

    • 228.5 ˚C est.

  • Synonyms

    • Notoginsenoside A
    • beta-D-Glucopyranoside, (3beta,12beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12,25-dihydroxydammar-23-en-3-yl 2-O-beta-D-glucopyranosyl-
    • 193895-21-5
    • RefChem:166835
    • (2R,3R,4S,5S,6R)-2-(((2R,3S,4S,5R,6S)-6-((E,2S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-hydroxy-6-methylhept-4-en-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(E,2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methylhept-4-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • SCHEMBL29568837
    • CHEBI:230887
    • .beta.-D-Glucopyranoside, (3.beta.,12.beta.)-20-[(6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy]-12,25-dihydroxydammar-23-en-3-yl 2-O-.beta.-D-glucopyranosyl-
    • 193895-21-5

  • Applications

    Notoginsenoside A (CAS 193895-21-5) is a ginsenoside isolated from Panax notoginseng; it is commonly considered in pharmaceutical and nutraceutical research as a bioactive constituent and is also used as a chemical marker for quality control of Panax notoginseng extracts. In cosmetics and personal care, it may appear in formulations utilizing botanical extracts as part of natural ingredient systems. In industrial and analytical contexts, Notoginsenoside A serves as a standard for quantifying ginsenosides in herbal samples and is studied as an intermediate in extraction and purification processes to optimize recovery of related saponins. It has also been evaluated for antioxidant activity in basic research, informing formulation development of herbal-derived products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.74
    methanol 19.91
    isopropanol 0.45
    water 0.29
    ethyl acetate 1.95
    n-propanol 0.86
    acetone 3.88
    n-butanol 0.35
    acetonitrile 1.72
    DMF 47.5
    toluene 0.48
    isobutanol 0.32
    1,4-dioxane 7.02
    methyl acetate 2.56
    THF 11.42
    2-butanone 1.97
    n-pentanol 0.34
    sec-butanol 0.28
    n-hexane 0.02
    ethylene glycol 4.83
    NMP 44.98
    cyclohexane 0.05
    DMSO 58.36
    n-butyl acetate 0.78
    n-octanol 0.55
    chloroform 3.08
    n-propyl acetate 0.96
    acetic acid 26.05
    dichloromethane 3.53
    cyclohexanone 2.63
    propylene glycol 2.95
    isopropyl acetate 1.09
    DMAc 37.25
    2-ethoxyethanol 6.47
    isopentanol 0.21
    n-heptane 0.05
    ethyl formate 2.14
    1,2-dichloroethane 1.58
    n-hexanol 0.33
    2-methoxyethanol 15.16
    isobutyl acetate 0.49
    tetrachloromethane 0.38
    n-pentyl acetate 1.42
    transcutol 11.94
    n-heptanol 0.67
    ethylbenzene 0.2
    MIBK 0.73
    2-propoxyethanol 6.31
    tert-butanol 0.34
    MTBE 0.36
    2-butoxyethanol 4.94
    propionic acid 2.88
    o-xylene 0.36
    formic acid 49.74
    diethyl ether 0.71
    m-xylene 0.36
    p-xylene 0.26
    chlorobenzene 0.59
    dimethyl carbonate 7.48
    n-octane 0.03
    formamide 31.96
    cyclopentanone 7.29
    2-pentanone 1.32
    anisole 1.11
    cyclopentyl methyl ether 2.07
    gamma-butyrolactone 14.28
    1-methoxy-2-propanol 6.9
    pyridine 4.56
    3-pentanone 1.38
    furfural 18.01
    n-dodecane 0.02
    diethylene glycol 10.42
    diisopropyl ether 0.16
    tert-amyl alcohol 0.29
    acetylacetone 5.99
    n-hexadecane 0.02
    acetophenone 1.98
    methyl propionate 3.42
    isopentyl acetate 0.58
    trichloroethylene 5.5
    n-nonanol 0.59
    cyclohexanol 0.34
    benzyl alcohol 1.26
    2-ethylhexanol 0.2
    isooctanol 0.42
    dipropyl ether 0.69
    1,2-dichlorobenzene 0.76
    ethyl lactate 2.06
    propylene carbonate 4.66
    n-methylformamide 19.44
    2-pentanol 0.17
    n-pentane 0.03
    1-propoxy-2-propanol 3.18
    1-methoxy-2-propyl acetate 3.67
    2-(2-methoxypropoxy) propanol 3.68
    mesitylene 0.2
    ε-caprolactone 3.25
    p-cymene 0.2
    epichlorohydrin 10.56
    1,1,1-trichloroethane 0.79
    2-aminoethanol 4.38
    morpholine-4-carbaldehyde 38.98
    sulfolane 35.66
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.82
    n-hexyl acetate 1.35
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.46
    sec-butyl acetate 0.49
    tert-butyl acetate 1.16
    decalin 0.03
    glycerin 12.22
    diglyme 11.9
    acrylic acid 7.88
    isopropyl myristate 0.35
    n-butyric acid 1.9
    acetyl acetate 3.05
    di(2-ethylhexyl) phthalate 0.81
    ethyl propionate 1.06
    nitromethane 43.63
    1,2-diethoxyethane 1.92
    benzonitrile 1.0
    trioctyl phosphate 0.54
    1-bromopropane 0.34
    gamma-valerolactone 24.58
    n-decanol 0.34
    triethyl phosphate 0.78
    4-methyl-2-pentanol 0.13
    propionitrile 0.79
    vinylene carbonate 6.46
    1,1,2-trichlorotrifluoroethane 23.8
    DMS 2.69
    cumene 0.14
    2-octanol 0.31
    2-hexanone 0.78
    octyl acetate 0.71
    limonene 0.24
    1,2-dimethoxyethane 7.25
    ethyl orthosilicate 0.66
    tributyl phosphate 0.44
    diacetone alcohol 2.66
    N,N-dimethylaniline 1.08
    acrylonitrile 2.52
    aniline 0.86
    1,3-propanediol 2.69
    bromobenzene 0.55
    dibromomethane 1.3
    1,1,2,2-tetrachloroethane 3.31
    2-methyl-cyclohexyl acetate 0.78
    tetrabutyl urea 0.92
    diisobutyl methanol 0.13
    2-phenylethanol 1.2
    styrene 0.25
    dioctyl adipate 0.92
    dimethyl sulfate 20.11
    ethyl butyrate 0.85
    methyl lactate 7.69
    butyl lactate 2.01
    diethyl carbonate 0.62
    propanediol butyl ether 5.06
    triethyl orthoformate 1.04
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.5
    morpholine 6.89
    tert-butylamine 0.11
    n-dodecanol 0.19
    dimethoxymethane 19.61
    ethylene carbonate 3.37
    cyrene 9.43
    2-ethoxyethyl acetate 4.39
    2-ethylhexyl acetate 0.47
    1,2,4-trichlorobenzene 1.17
    4-methylpyridine 2.02
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.13
    DEF 3.92
    dimethyl isosorbide 8.7
    tetrachloroethylene 2.68
    eugenol 3.67
    triacetin 4.79
    span 80 3.52
    1,4-butanediol 1.34
    1,1-dichloroethane 0.74
    2-methyl-1-pentanol 0.2
    methyl formate 18.92
    2-methyl-1-butanol 0.22
    n-decane 0.05
    butyronitrile 0.43
    3,7-dimethyl-1-octanol 0.28
    1-chlorooctane 0.19
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 0.78
    tetrahydropyran 1.39
    tert-amyl methyl ether 0.42
    2,5,8-trioxanonane 7.67
    1-hexene 0.07
    2-isopropoxyethanol 2.61
    2,2,2-trifluoroethanol 12.27
    methyl butyrate 1.21

    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