trans-but-2-enoyl-ginsenoside Rg1

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  • Identifiers

    CAS number
    171674-97-8

    Molecular formula
    C46H76O15

    SMILES
    C/C=C/C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C[C@@]3([C@H](C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@](C)(CCC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)[C@@]6([C@@H]2C([C@H](CC6)O)(C)C)C)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.59%
    Woody 41.88%
    Sweet 33.0%
    Mint 31.73%
    Spicy 30.78%
    Cooling 29.12%
    Balsamic 26.29%
    Amber 25.14%
    Warm 23.68%
    Dry 23.28%

     

    Flavor
    Bitter 60.32%
    Odorless 26.5%
    Sweet-like 23.87%
    Fatty 22.88%
    Herbal 22.65%
    Cedarleaf 22.29%
    Bland 22.28%
    Sweet 20.74%
    Sandalwood 20.49%
    Clary 20.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    4.18 (weak acid)

    Molecular weight
    869.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    1448°C

    Flash point

    • 228.99 ˚C est.

  • Synonyms

    • DTXSID601105609
    • trans-but-2-enoyl-ginsenoside Rg1
    • (E)-(3I(2),6I+/-,12I(2))-3,12-Dihydroxy-6-[[6-O-(1-oxo-2-butenyl)-I(2)-D-glucopyranosyl]oxy]dammar-24-en-20-yl I(2)-D-glucopyranoside
    • 171674-97-8
    • 171674-97-8

  • Applications

    trans-but-2-enoyl-ginsenoside Rg1 (CAS 171674-97-8) is an acylated ginsenoside derivative; in practice, it is viewed as an intermediate for the synthesis of ginsenoside-based compounds in pharmaceutical research and development; it may be used in cosmetics and personal care as a lipophilic glycoside ingredient in formulations; it may be evaluated for use in industrial manufacturing as an intermediate to prepare further ginsenoside derivatives; it could serve as a functional component in polymer or materials science applications; and it may be employed as a specialty additive or modifier in coatings or inks formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.85
    methanol 59.26
    isopropanol 4.86
    water 0.13
    ethyl acetate 10.1
    n-propanol 8.86
    acetone 20.94
    n-butanol 3.95
    acetonitrile 5.23
    DMF 95.72
    toluene 2.5
    isobutanol 3.43
    1,4-dioxane 31.78
    methyl acetate 11.69
    THF 75.11
    2-butanone 12.8
    n-pentanol 3.01
    sec-butanol 2.87
    n-hexane 0.1
    ethylene glycol 11.36
    NMP 110.72
    cyclohexane 0.21
    DMSO 135.6
    n-butyl acetate 4.02
    n-octanol 2.52
    chloroform 21.47
    n-propyl acetate 4.23
    acetic acid 106.5
    dichloromethane 18.2
    cyclohexanone 19.3
    propylene glycol 13.63
    isopropyl acetate 5.58
    DMAc 90.81
    2-ethoxyethanol 27.78
    isopentanol 2.22
    n-heptane 0.14
    ethyl formate 11.32
    1,2-dichloroethane 8.74
    n-hexanol 2.7
    2-methoxyethanol 65.69
    isobutyl acetate 2.34
    tetrachloromethane 2.49
    n-pentyl acetate 6.16
    transcutol 35.3
    n-heptanol 3.16
    ethylbenzene 0.9
    MIBK 4.3
    2-propoxyethanol 30.07
    tert-butanol 3.46
    MTBE 2.67
    2-butoxyethanol 18.42
    propionic acid 16.66
    o-xylene 1.48
    formic acid 64.28
    diethyl ether 4.6
    m-xylene 1.46
    p-xylene 1.05
    chlorobenzene 3.36
    dimethyl carbonate 18.77
    n-octane 0.08
    formamide 50.41
    cyclopentanone 43.08
    2-pentanone 8.75
    anisole 4.45
    cyclopentyl methyl ether 10.68
    gamma-butyrolactone 60.57
    1-methoxy-2-propanol 35.34
    pyridine 20.43
    3-pentanone 7.03
    furfural 48.1
    n-dodecane 0.05
    diethylene glycol 31.96
    diisopropyl ether 0.83
    tert-amyl alcohol 2.56
    acetylacetone 23.11
    n-hexadecane 0.06
    acetophenone 6.78
    methyl propionate 13.96
    isopentyl acetate 3.38
    trichloroethylene 26.25
    n-nonanol 2.59
    cyclohexanol 3.02
    benzyl alcohol 6.46
    2-ethylhexanol 1.18
    isooctanol 2.01
    dipropyl ether 2.51
    1,2-dichlorobenzene 3.35
    ethyl lactate 6.57
    propylene carbonate 20.44
    n-methylformamide 50.88
    2-pentanol 1.72
    n-pentane 0.14
    1-propoxy-2-propanol 13.22
    1-methoxy-2-propyl acetate 13.18
    2-(2-methoxypropoxy) propanol 11.26
    mesitylene 0.73
    ε-caprolactone 21.67
    p-cymene 0.7
    epichlorohydrin 50.76
    1,1,1-trichloroethane 5.63
    2-aminoethanol 19.31
    morpholine-4-carbaldehyde 98.14
    sulfolane 107.49
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 14.33
    n-hexyl acetate 6.34
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 16.95
    sec-butyl acetate 2.34
    tert-butyl acetate 5.47
    decalin 0.11
    glycerin 34.34
    diglyme 32.94
    acrylic acid 29.36
    isopropyl myristate 1.35
    n-butyric acid 16.86
    acetyl acetate 12.7
    di(2-ethylhexyl) phthalate 3.14
    ethyl propionate 4.25
    nitromethane 97.39
    1,2-diethoxyethane 7.09
    benzonitrile 4.03
    trioctyl phosphate 2.12
    1-bromopropane 2.49
    gamma-valerolactone 107.89
    n-decanol 1.4
    triethyl phosphate 2.48
    4-methyl-2-pentanol 1.11
    propionitrile 3.81
    vinylene carbonate 23.2
    1,1,2-trichlorotrifluoroethane 71.78
    DMS 8.58
    cumene 0.6
    2-octanol 1.53
    2-hexanone 4.3
    octyl acetate 2.76
    limonene 1.04
    1,2-dimethoxyethane 27.56
    ethyl orthosilicate 2.17
    tributyl phosphate 1.83
    diacetone alcohol 12.65
    N,N-dimethylaniline 3.25
    acrylonitrile 8.76
    aniline 4.86
    1,3-propanediol 21.0
    bromobenzene 2.92
    dibromomethane 8.18
    1,1,2,2-tetrachloroethane 18.15
    2-methyl-cyclohexyl acetate 3.51
    tetrabutyl urea 3.14
    diisobutyl methanol 0.64
    2-phenylethanol 5.83
    styrene 1.12
    dioctyl adipate 3.47
    dimethyl sulfate 39.16
    ethyl butyrate 3.4
    methyl lactate 23.92
    butyl lactate 7.65
    diethyl carbonate 2.4
    propanediol butyl ether 16.47
    triethyl orthoformate 3.33
    p-tert-butyltoluene 0.69
    methyl 4-tert-butylbenzoate 10.16
    morpholine 36.92
    tert-butylamine 0.93
    n-dodecanol 0.76
    dimethoxymethane 57.6
    ethylene carbonate 15.44
    cyrene 23.57
    2-ethoxyethyl acetate 15.84
    2-ethylhexyl acetate 2.43
    1,2,4-trichlorobenzene 5.7
    4-methylpyridine 9.89
    dibutyl ether 1.28
    2,6-dimethyl-4-heptanol 0.64
    DEF 16.04
    dimethyl isosorbide 20.73
    tetrachloroethylene 13.36
    eugenol 9.95
    triacetin 13.5
    span 80 11.57
    1,4-butanediol 7.33
    1,1-dichloroethane 5.51
    2-methyl-1-pentanol 1.79
    methyl formate 41.72
    2-methyl-1-butanol 2.4
    n-decane 0.13
    butyronitrile 2.59
    3,7-dimethyl-1-octanol 1.37
    1-chlorooctane 0.8
    1-chlorotetradecane 0.21
    n-nonane 0.11
    undecane 0.08
    tert-butylcyclohexane 0.08
    cyclooctane 0.1
    cyclopentanol 7.07
    tetrahydropyran 10.99
    tert-amyl methyl ether 2.47
    2,5,8-trioxanonane 19.47
    1-hexene 0.43
    2-isopropoxyethanol 11.39
    2,2,2-trifluoroethanol 34.37
    methyl butyrate 5.66

    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