Betavulgaroside IX

Overview IFRA Request a quote

  • Identifiers

    CAS number
    184288-94-6

    Molecular formula
    C52H82O23

    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@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@@H]([C@@H](C(=O)O)O)OCC(=O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.9%
    Woody 31.49%
    Sweet 27.33%
    Cooling 27.01%
    Spicy 24.85%
    Balsamic 23.17%
    Amber 22.71%
    Dry 22.38%
    Mint 21.16%
    Warm 20.34%

     

    Flavor
    Bitter 59.43%
    Odorless 37.74%
    Bland 30.36%
    Sweet-like 28.39%
    Fatty 25.09%
    Sweet 22.54%
    Cedarleaf 21.15%
    Sandalwood 20.26%
    Patchouli 20.12%
    Fir 19.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    1.45 (strong acid)

    Molecular weight
    1075.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2573°C

    Flash point

    • 251.51 ˚C est.

  • Synonyms

    • Betavulgaroside IX
    • 184288-94-6
    • RefChem:119552
    • DTXSID101316075
    • 1-O-[3beta-({3-O-[(1S,2S)-2-Carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl}oxy)-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose
    • 184288-94-6

  • Applications

    Betavulgaroside IX, CAS 184288-94-6, is a natural glycoside that is explored for several practical applications, including cosmetics/personal care where it may function as a natural surfactant or emulsifier component; household cleaning products where it may serve as a surfactant; industrial manufacturing and polymers as a processing aid or surface-active additive; pharmaceutical research as an intermediate or reagent in synthetic routes; and agriculture/natural product studies as a plant metabolite model.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.89
    methanol 28.52
    isopropanol 1.35
    water 0.09
    ethyl acetate 1.61
    n-propanol 2.01
    acetone 5.97
    n-butanol 0.74
    acetonitrile 1.6
    DMF 59.55
    toluene 0.44
    isobutanol 0.72
    1,4-dioxane 8.39
    methyl acetate 2.95
    THF 16.47
    2-butanone 3.13
    n-pentanol 0.58
    sec-butanol 0.69
    n-hexane 0.02
    ethylene glycol 6.87
    NMP 45.14
    cyclohexane 0.05
    DMSO 56.42
    n-butyl acetate 0.62
    n-octanol 0.57
    chloroform 2.75
    n-propyl acetate 0.82
    acetic acid 26.75
    dichloromethane 2.78
    cyclohexanone 3.14
    propylene glycol 6.5
    isopropyl acetate 0.9
    DMAc 43.6
    2-ethoxyethanol 8.27
    isopentanol 0.4
    n-heptane 0.03
    ethyl formate 2.22
    1,2-dichloroethane 1.56
    n-hexanol 0.43
    2-methoxyethanol 22.46
    isobutyl acetate 0.39
    tetrachloromethane 0.36
    n-pentyl acetate 1.1
    transcutol 12.93
    n-heptanol 0.64
    ethylbenzene 0.15
    MIBK 0.81
    2-propoxyethanol 7.84
    tert-butanol 0.92
    MTBE 0.57
    2-butoxyethanol 4.83
    propionic acid 3.67
    o-xylene 0.3
    formic acid 32.79
    diethyl ether 0.93
    m-xylene 0.27
    p-xylene 0.19
    chlorobenzene 0.41
    dimethyl carbonate 5.76
    n-octane 0.02
    formamide 25.32
    cyclopentanone 9.13
    2-pentanone 1.66
    anisole 0.87
    cyclopentyl methyl ether 1.88
    gamma-butyrolactone 13.62
    1-methoxy-2-propanol 12.21
    pyridine 4.4
    3-pentanone 1.58
    furfural 12.38
    n-dodecane 0.01
    diethylene glycol 11.82
    diisopropyl ether 0.16
    tert-amyl alcohol 0.61
    acetylacetone 5.34
    n-hexadecane 0.02
    acetophenone 1.45
    methyl propionate 3.28
    isopentyl acetate 0.48
    trichloroethylene 4.39
    n-nonanol 0.57
    cyclohexanol 0.52
    benzyl alcohol 1.32
    2-ethylhexanol 0.18
    isooctanol 0.39
    dipropyl ether 0.56
    1,2-dichlorobenzene 0.44
    ethyl lactate 1.86
    propylene carbonate 3.45
    n-methylformamide 22.97
    2-pentanol 0.34
    n-pentane 0.03
    1-propoxy-2-propanol 3.54
    1-methoxy-2-propyl acetate 2.85
    2-(2-methoxypropoxy) propanol 3.99
    mesitylene 0.15
    ε-caprolactone 3.34
    p-cymene 0.12
    epichlorohydrin 10.37
    1,1,1-trichloroethane 0.73
    2-aminoethanol 7.22
    morpholine-4-carbaldehyde 36.44
    sulfolane 29.74
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.38
    n-hexyl acetate 1.15
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.49
    sec-butyl acetate 0.4
    tert-butyl acetate 1.01
    decalin 0.02
    glycerin 18.02
    diglyme 11.27
    acrylic acid 7.85
    isopropyl myristate 0.28
    n-butyric acid 2.29
    acetyl acetate 1.99
    di(2-ethylhexyl) phthalate 0.65
    ethyl propionate 0.82
    nitromethane 33.73
    1,2-diethoxyethane 1.75
    benzonitrile 0.73
    trioctyl phosphate 0.43
    1-bromopropane 0.35
    gamma-valerolactone 24.56
    n-decanol 0.33
    triethyl phosphate 0.49
    4-methyl-2-pentanol 0.2
    propionitrile 0.91
    vinylene carbonate 4.03
    1,1,2-trichlorotrifluoroethane 21.48
    DMS 1.98
    cumene 0.1
    2-octanol 0.33
    2-hexanone 0.85
    octyl acetate 0.57
    limonene 0.17
    1,2-dimethoxyethane 9.0
    ethyl orthosilicate 0.42
    tributyl phosphate 0.35
    diacetone alcohol 3.3
    N,N-dimethylaniline 0.83
    acrylonitrile 2.45
    aniline 0.96
    1,3-propanediol 5.41
    bromobenzene 0.32
    dibromomethane 1.07
    1,1,2,2-tetrachloroethane 3.32
    2-methyl-cyclohexyl acetate 0.56
    tetrabutyl urea 0.79
    diisobutyl methanol 0.12
    2-phenylethanol 1.02
    styrene 0.19
    dioctyl adipate 0.74
    dimethyl sulfate 13.26
    ethyl butyrate 0.61
    methyl lactate 7.86
    butyl lactate 1.88
    diethyl carbonate 0.42
    propanediol butyl ether 5.83
    triethyl orthoformate 0.73
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 2.51
    morpholine 9.77
    tert-butylamine 0.23
    n-dodecanol 0.19
    dimethoxymethane 22.32
    ethylene carbonate 2.36
    cyrene 8.47
    2-ethoxyethyl acetate 3.28
    2-ethylhexyl acetate 0.34
    1,2,4-trichlorobenzene 0.78
    4-methylpyridine 1.97
    dibutyl ether 0.29
    2,6-dimethyl-4-heptanol 0.12
    DEF 3.96
    dimethyl isosorbide 6.26
    tetrachloroethylene 2.61
    eugenol 2.74
    triacetin 3.32
    span 80 3.75
    1,4-butanediol 2.16
    1,1-dichloroethane 0.8
    2-methyl-1-pentanol 0.33
    methyl formate 18.92
    2-methyl-1-butanol 0.42
    n-decane 0.03
    butyronitrile 0.49
    3,7-dimethyl-1-octanol 0.27
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.24
    tetrahydropyran 2.01
    tert-amyl methyl ether 0.53
    2,5,8-trioxanonane 6.97
    1-hexene 0.09
    2-isopropoxyethanol 3.06
    2,2,2-trifluoroethanol 9.07
    methyl butyrate 1.09

    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