Notoginsenoside R2

Overview IFRA Request a quote

  • Identifiers

    CAS number
    80418-25-3

    Molecular formula
    C41H70O13

    SMILES
    CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)O)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 50.76%
    Sweet 42.49%
    Odorless 41.57%
    Spicy 34.98%
    Mint 34.08%
    Balsamic 33.5%
    Cooling 31.07%
    Amber 29.45%
    Sandalwood 26.99%
    Dry 25.83%

     

    Flavor
    Bitter 46.62%
    Sweet 33.76%
    Herbal 28.01%
    Fatty 27.81%
    Odorless 26.9%
    Minty 24.73%
    Sweet-like 24.54%
    Pine 23.25%
    Cedarleaf 22.09%
    Balsam 21.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    4.75 (weak acid)

    Molecular weight
    771.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1362°C

    Flash point

    • 231.13 ˚C est.

  • Synonyms

    • Notoginsenoside R2
    • 80418-25-3
    • DTXSID701316154
    • (2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
    • (2S,3R,4S,5R)-2-((2R,3R,4S,5S,6R)-2-(((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-6-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxyoxane-3,4,5-triol
    • RefChem:166846
    • DTXCID301746018
    • 20(S)-Notoginsenoside R2
    • Ginsenoside Ng-R2
    • C41H70O13
    • (2S,3R,4S,5R)-2-(((2R,3R,4S,5S,6R)-2-(((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-6-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol
    • MFCD26131256
    • Notoginsenoside R2 (Standard)
    • orb1300202
    • CHEMBL3357162
    • SCHEMBL29400808
    • HY-N0909R
    • CHEBI:176314
    • HY-N0909
    • AKOS030526905
    • EBC-615779
    • (2S,3R,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5S,5aR,7S,9aR,9bR,11R,11aR)-7,11-dihydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol
    • DA-76274
    • MS-31396
    • (2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol
    • 3beta,12beta,20-Trihydroxydammar-24-en-6alpha-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
    • 80418-25-3

  • Applications

    Notoginsenoside R2 (CAS 80418-25-3) is a ginsenoside from Panax notoginseng used across several industries as a cosmetic bioactive ingredient in skincare formulations with reported antioxidant and anti-inflammatory activities; as a quality-control marker in Panax notoginseng extracts, it serves as a reference compound for standardization and analytical profiling; it is evaluated in pharmaceutical/herbal research for various biological activities in preclinical studies; it may be present in nutraceutical/dietary supplement extracts and used as a marker for product quality control; and in analytical/industrial workflows it can be used as a reference standard or intermediate for quantification and semi-synthesis of ginsenosides.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.97
    methanol 20.96
    isopropanol 0.47
    water 0.08
    ethyl acetate 1.28
    n-propanol 1.01
    acetone 3.77
    n-butanol 0.4
    acetonitrile 1.06
    DMF 30.81
    toluene 0.39
    isobutanol 0.38
    1,4-dioxane 7.26
    methyl acetate 1.69
    THF 13.18
    2-butanone 1.82
    n-pentanol 0.43
    sec-butanol 0.29
    n-hexane 0.02
    ethylene glycol 3.42
    NMP 29.22
    cyclohexane 0.03
    DMSO 38.04
    n-butyl acetate 0.66
    n-octanol 0.66
    chloroform 2.98
    n-propyl acetate 0.77
    acetic acid 19.44
    dichloromethane 2.85
    cyclohexanone 2.75
    propylene glycol 2.31
    isopropyl acetate 0.8
    DMAc 23.51
    2-ethoxyethanol 7.1
    isopentanol 0.25
    n-heptane 0.03
    ethyl formate 1.7
    1,2-dichloroethane 1.24
    n-hexanol 0.39
    2-methoxyethanol 15.04
    isobutyl acetate 0.48
    tetrachloromethane 0.35
    n-pentyl acetate 1.49
    transcutol 12.51
    n-heptanol 0.78
    ethylbenzene 0.2
    MIBK 0.75
    2-propoxyethanol 7.51
    tert-butanol 0.35
    MTBE 0.35
    2-butoxyethanol 5.82
    propionic acid 2.17
    o-xylene 0.28
    formic acid 26.83
    diethyl ether 0.64
    m-xylene 0.3
    p-xylene 0.25
    chlorobenzene 0.55
    dimethyl carbonate 3.76
    n-octane 0.02
    formamide 17.38
    cyclopentanone 6.99
    2-pentanone 1.27
    anisole 1.11
    cyclopentyl methyl ether 1.72
    gamma-butyrolactone 9.74
    1-methoxy-2-propanol 6.25
    pyridine 3.91
    3-pentanone 1.13
    furfural 12.87
    n-dodecane 0.01
    diethylene glycol 9.76
    diisopropyl ether 0.13
    tert-amyl alcohol 0.29
    acetylacetone 4.75
    n-hexadecane 0.02
    acetophenone 1.73
    methyl propionate 2.12
    isopentyl acetate 0.62
    trichloroethylene 4.42
    n-nonanol 0.68
    cyclohexanol 0.32
    benzyl alcohol 1.43
    2-ethylhexanol 0.23
    isooctanol 0.51
    dipropyl ether 0.57
    1,2-dichlorobenzene 0.62
    ethyl lactate 1.54
    propylene carbonate 3.2
    n-methylformamide 13.05
    2-pentanol 0.17
    n-pentane 0.02
    1-propoxy-2-propanol 3.11
    1-methoxy-2-propyl acetate 3.06
    2-(2-methoxypropoxy) propanol 4.04
    mesitylene 0.16
    ε-caprolactone 3.08
    p-cymene 0.18
    epichlorohydrin 9.33
    1,1,1-trichloroethane 0.63
    2-aminoethanol 4.25
    morpholine-4-carbaldehyde 30.16
    sulfolane 25.21
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.76
    n-hexyl acetate 1.51
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.05
    sec-butyl acetate 0.41
    tert-butyl acetate 0.96
    decalin 0.02
    glycerin 9.1
    diglyme 12.46
    acrylic acid 5.08
    isopropyl myristate 0.36
    n-butyric acid 1.66
    acetyl acetate 1.97
    di(2-ethylhexyl) phthalate 0.93
    ethyl propionate 0.72
    nitromethane 26.1
    1,2-diethoxyethane 1.91
    benzonitrile 0.92
    trioctyl phosphate 0.56
    1-bromopropane 0.28
    gamma-valerolactone 24.92
    n-decanol 0.36
    triethyl phosphate 0.57
    4-methyl-2-pentanol 0.15
    propionitrile 0.6
    vinylene carbonate 4.37
    1,1,2-trichlorotrifluoroethane 19.22
    DMS 1.98
    cumene 0.14
    2-octanol 0.35
    2-hexanone 0.81
    octyl acetate 0.7
    limonene 0.21
    1,2-dimethoxyethane 7.85
    ethyl orthosilicate 0.51
    tributyl phosphate 0.44
    diacetone alcohol 2.37
    N,N-dimethylaniline 0.98
    acrylonitrile 1.7
    aniline 0.75
    1,3-propanediol 2.98
    bromobenzene 0.49
    dibromomethane 1.08
    1,1,2,2-tetrachloroethane 2.69
    2-methyl-cyclohexyl acetate 0.77
    tetrabutyl urea 0.89
    diisobutyl methanol 0.14
    2-phenylethanol 1.41
    styrene 0.24
    dioctyl adipate 0.95
    dimethyl sulfate 9.6
    ethyl butyrate 0.65
    methyl lactate 4.55
    butyl lactate 2.07
    diethyl carbonate 0.44
    propanediol butyl ether 5.79
    triethyl orthoformate 0.79
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 3.24
    morpholine 6.86
    tert-butylamine 0.11
    n-dodecanol 0.2
    dimethoxymethane 15.04
    ethylene carbonate 2.42
    cyrene 8.77
    2-ethoxyethyl acetate 4.2
    2-ethylhexyl acetate 0.46
    1,2,4-trichlorobenzene 1.01
    4-methylpyridine 1.8
    dibutyl ether 0.32
    2,6-dimethyl-4-heptanol 0.14
    DEF 2.79
    dimethyl isosorbide 7.87
    tetrachloroethylene 2.38
    eugenol 3.68
    triacetin 4.01
    span 80 3.68
    1,4-butanediol 1.45
    1,1-dichloroethane 0.58
    2-methyl-1-pentanol 0.27
    methyl formate 11.71
    2-methyl-1-butanol 0.26
    n-decane 0.04
    butyronitrile 0.39
    3,7-dimethyl-1-octanol 0.34
    1-chlorooctane 0.18
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 0.7
    tetrahydropyran 1.42
    tert-amyl methyl ether 0.34
    2,5,8-trioxanonane 7.72
    1-hexene 0.07
    2-isopropoxyethanol 2.93
    2,2,2-trifluoroethanol 6.95
    methyl butyrate 0.96

    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