Notoginsenoside Fa

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  • Identifiers

    CAS number
    88100-04-3

    Molecular formula
    C59H100O27

    SMILES
    CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(CO7)O)O)O)C)C)O)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.69%
    Sweet 39.51%
    Woody 35.28%
    Cooling 25.54%
    Spicy 25.37%
    Mint 23.58%
    Balsamic 21.92%
    Amber 21.2%
    Warm 20.7%
    Dry 20.32%

     

    Flavor
    Bitter 46.91%
    Sweet 43.44%
    Odorless 35.25%
    Fatty 31.77%
    Sweet-like 28.27%
    Bland 22.96%
    Mentholic 21.13%
    Cedarleaf 21.08%
    Cauliflower 20.66%
    Old paper 20.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    4.15 (weak acid)

    Molecular weight
    1241.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3651°C

    Melting point expt.

    • 235 - 240 °C

    Flash point

    • 188.26 ˚C est.

  • Synonyms

    • Notoginsenoside Fa
    • 88100-04-3
    • DTXSID101316170
    • 2-[[6-[2-[3-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-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-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • 2-((6-(2-(3-(3-(4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-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-methylhept-5-en-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • RefChem:1092604
    • DTXCID701746034
    • NotoginsenosideFa
    • Notoginsenoside Fa (Standard)
    • orb1303385
    • SCHEMBL30185806
    • HY-N2530R
    • Notoginsenoside FaNotoginsenosideFa
    • HY-N2530
    • MSK181367
    • AKOS030530157
    • EBC-617560
    • AC-34757
    • DA-56272
    • FN145257
    • MS-32074
    • CS-0022801
    • (3|A,12|A)-20-[(6-O-|A-D-Glucopyranosyl-|A-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl O-|A-D-xylopyranosyl-(1 inverted exclamation marku2)-O-|A-D-glucopyranosyl-(1 inverted exclamation marku2)-|A-D-glucopyranoside
    • 2-[(2-{7-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-en-2-yl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
    • 20-[(6-O-Hexopyranosylhexopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl pentopyranosyl-(1->2)hexopyranosyl-(1->2)hexopyranoside
    • 88100-04-3

  • Applications

    Notoginsenoside Fa, CAS 88100-04-3, is a Panax notoginseng saponin evaluated for several industrial applications: as a cosmetic/personal care active ingredient in extracts or the saponin itself; it may function as a natural surfactant or emulsifier in cleaning formulations; studied as an active constituent and/or analytical reference for pharmaceutical and nutraceutical product development; supports quality-control workflows for Panax notoginseng extracts; and is considered in research on technology and product development leveraging its saponin character.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.05
    methanol 12.35
    isopropanol 0.3
    water 0.16
    ethyl acetate 1.11
    n-propanol 0.54
    acetone 2.55
    n-butanol 0.22
    acetonitrile 1.12
    DMF 32.23
    toluene 0.3
    isobutanol 0.21
    1,4-dioxane 4.76
    methyl acetate 1.64
    THF 6.66
    2-butanone 1.3
    n-pentanol 0.23
    sec-butanol 0.19
    n-hexane 0.01
    ethylene glycol 2.98
    NMP 29.96
    cyclohexane 0.03
    DMSO 35.66
    n-butyl acetate 0.55
    n-octanol 0.43
    chloroform 1.91
    n-propyl acetate 0.64
    acetic acid 15.15
    dichloromethane 2.1
    cyclohexanone 1.69
    propylene glycol 1.83
    isopropyl acetate 0.66
    DMAc 25.94
    2-ethoxyethanol 4.47
    isopentanol 0.14
    n-heptane 0.03
    ethyl formate 1.36
    1,2-dichloroethane 0.92
    n-hexanol 0.21
    2-methoxyethanol 9.34
    isobutyl acetate 0.34
    tetrachloromethane 0.23
    n-pentyl acetate 1.14
    transcutol 9.89
    n-heptanol 0.49
    ethylbenzene 0.13
    MIBK 0.48
    2-propoxyethanol 4.38
    tert-butanol 0.23
    MTBE 0.25
    2-butoxyethanol 3.91
    propionic acid 1.79
    o-xylene 0.24
    formic acid 29.85
    diethyl ether 0.41
    m-xylene 0.23
    p-xylene 0.19
    chlorobenzene 0.37
    dimethyl carbonate 4.81
    n-octane 0.02
    formamide 19.58
    cyclopentanone 4.39
    2-pentanone 0.83
    anisole 0.77
    cyclopentyl methyl ether 1.14
    gamma-butyrolactone 8.22
    1-methoxy-2-propanol 4.33
    pyridine 2.91
    3-pentanone 0.87
    furfural 12.53
    n-dodecane 0.01
    diethylene glycol 6.95
    diisopropyl ether 0.1
    tert-amyl alcohol 0.2
    acetylacetone 3.99
    n-hexadecane 0.02
    acetophenone 1.41
    methyl propionate 2.07
    isopentyl acetate 0.42
    trichloroethylene 3.45
    n-nonanol 0.46
    cyclohexanol 0.21
    benzyl alcohol 0.89
    2-ethylhexanol 0.13
    isooctanol 0.31
    dipropyl ether 0.46
    1,2-dichlorobenzene 0.48
    ethyl lactate 1.45
    propylene carbonate 2.85
    n-methylformamide 11.87
    2-pentanol 0.11
    n-pentane 0.02
    1-propoxy-2-propanol 2.33
    1-methoxy-2-propyl acetate 2.67
    2-(2-methoxypropoxy) propanol 3.19
    mesitylene 0.13
    ε-caprolactone 2.0
    p-cymene 0.15
    epichlorohydrin 6.17
    1,1,1-trichloroethane 0.47
    2-aminoethanol 2.72
    morpholine-4-carbaldehyde 28.19
    sulfolane 22.22
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.05
    n-hexyl acetate 1.1
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.57
    sec-butyl acetate 0.32
    tert-butyl acetate 0.74
    decalin 0.02
    glycerin 7.72
    diglyme 10.25
    acrylic acid 4.94
    isopropyl myristate 0.27
    n-butyric acid 1.14
    acetyl acetate 1.97
    di(2-ethylhexyl) phthalate 0.66
    ethyl propionate 0.66
    nitromethane 28.16
    1,2-diethoxyethane 1.49
    benzonitrile 0.74
    trioctyl phosphate 0.42
    1-bromopropane 0.19
    gamma-valerolactone 16.81
    n-decanol 0.26
    triethyl phosphate 0.55
    4-methyl-2-pentanol 0.08
    propionitrile 0.52
    vinylene carbonate 4.18
    1,1,2-trichlorotrifluoroethane 17.03
    DMS 1.96
    cumene 0.1
    2-octanol 0.24
    2-hexanone 0.56
    octyl acetate 0.56
    limonene 0.16
    1,2-dimethoxyethane 5.46
    ethyl orthosilicate 0.47
    tributyl phosphate 0.34
    diacetone alcohol 1.79
    N,N-dimethylaniline 0.75
    acrylonitrile 1.68
    aniline 0.54
    1,3-propanediol 1.68
    bromobenzene 0.34
    dibromomethane 0.72
    1,1,2,2-tetrachloroethane 2.05
    2-methyl-cyclohexyl acetate 0.56
    tetrabutyl urea 0.75
    diisobutyl methanol 0.09
    2-phenylethanol 0.85
    styrene 0.17
    dioctyl adipate 0.74
    dimethyl sulfate 13.06
    ethyl butyrate 0.59
    methyl lactate 4.92
    butyl lactate 1.65
    diethyl carbonate 0.45
    propanediol butyl ether 4.24
    triethyl orthoformate 0.77
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 2.77
    morpholine 4.31
    tert-butylamine 0.07
    n-dodecanol 0.15
    dimethoxymethane 12.29
    ethylene carbonate 2.08
    cyrene 7.24
    2-ethoxyethyl acetate 3.51
    2-ethylhexyl acetate 0.34
    1,2,4-trichlorobenzene 0.79
    4-methylpyridine 1.33
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.09
    DEF 2.52
    dimethyl isosorbide 6.94
    tetrachloroethylene 1.68
    eugenol 3.02
    triacetin 3.81
    span 80 2.83
    1,4-butanediol 0.92
    1,1-dichloroethane 0.44
    2-methyl-1-pentanol 0.14
    methyl formate 11.77
    2-methyl-1-butanol 0.14
    n-decane 0.03
    butyronitrile 0.28
    3,7-dimethyl-1-octanol 0.2
    1-chlorooctane 0.14
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.44
    tetrahydropyran 0.84
    tert-amyl methyl ether 0.26
    2,5,8-trioxanonane 6.6
    1-hexene 0.05
    2-isopropoxyethanol 1.89
    2,2,2-trifluoroethanol 7.6
    methyl butyrate 0.79

    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