Agavoside B

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  • Identifiers

    CAS number
    56857-66-0

    Molecular formula
    C39H62O14

    SMILES
    C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.27%
    Woody 29.97%
    Spicy 27.1%
    Cooling 26.28%
    Sweet 25.45%
    Mint 24.52%
    Warm 17.97%
    Vanilla 17.59%
    Milky 17.33%
    Balsamic 16.72%

     

    Flavor
    Bitter 51.28%
    Fatty 41.31%
    Sweet 30.77%
    Sweet-like 26.95%
    Odorless 26.87%
    Metallic 23.98%
    Cauliflower 21.8%
    Cedarleaf 21.75%
    Alkaline 21.4%
    Mentholic 21.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    4.66 (weak acid)

    Molecular weight
    754.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    861°C

    Flash point

    • 230.89 ˚C est.

  • Synonyms

    • Agavoside B
    • 56857-66-0
    • RefChem:1076215
    • orb1698688
    • AKOS040750193
    • 56857-66-0

  • Applications

    Agavoside B (CAS 56857-66-0) is a plant-derived glycoside evaluated for multiple real-world applications. In fragrance and flavor applications, it may serve as a precursor for aroma and taste components. In cosmetics and personal care, it is studied as a potential ingredient for formulations based on natural glycosides. In industrial manufacturing and organic synthesis, it is commonly employed as an intermediate or structural scaffold for the preparation of natural-product-derived derivatives aimed at pharmaceutical research. It is also explored in agricultural and plant science contexts as part of natural product chemistry research and related processes. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.31
    methanol 20.88
    isopropanol 0.76
    water 0.37
    ethyl acetate 3.3
    n-propanol 1.37
    acetone 8.5
    n-butanol 0.68
    acetonitrile 2.75
    DMF 44.96
    toluene 0.85
    isobutanol 0.54
    1,4-dioxane 12.97
    methyl acetate 3.88
    THF 25.57
    2-butanone 3.82
    n-pentanol 0.71
    sec-butanol 0.42
    n-hexane 0.02
    ethylene glycol 5.8
    NMP 53.52
    cyclohexane 0.05
    DMSO 74.59
    n-butyl acetate 1.5
    n-octanol 1.19
    chloroform 5.43
    n-propyl acetate 1.81
    acetic acid 49.59
    dichloromethane 5.59
    cyclohexanone 7.76
    propylene glycol 3.13
    isopropyl acetate 2.23
    DMAc 41.12
    2-ethoxyethanol 11.04
    isopentanol 0.43
    n-heptane 0.04
    ethyl formate 4.43
    1,2-dichloroethane 2.55
    n-hexanol 0.66
    2-methoxyethanol 23.1
    isobutyl acetate 1.05
    tetrachloromethane 0.73
    n-pentyl acetate 3.6
    transcutol 21.72
    n-heptanol 1.37
    ethylbenzene 0.33
    MIBK 1.72
    2-propoxyethanol 10.85
    tert-butanol 0.56
    MTBE 0.51
    2-butoxyethanol 9.67
    propionic acid 4.85
    o-xylene 0.58
    formic acid 56.38
    diethyl ether 1.0
    m-xylene 0.63
    p-xylene 0.45
    chlorobenzene 1.37
    dimethyl carbonate 10.3
    n-octane 0.03
    formamide 41.13
    cyclopentanone 18.81
    2-pentanone 3.01
    anisole 1.99
    cyclopentyl methyl ether 3.38
    gamma-butyrolactone 29.09
    1-methoxy-2-propanol 10.13
    pyridine 8.48
    3-pentanone 2.4
    furfural 35.08
    n-dodecane 0.03
    diethylene glycol 15.59
    diisopropyl ether 0.24
    tert-amyl alcohol 0.4
    acetylacetone 15.01
    n-hexadecane 0.03
    acetophenone 3.97
    methyl propionate 4.66
    isopentyl acetate 1.36
    trichloroethylene 9.41
    n-nonanol 1.29
    cyclohexanol 0.67
    benzyl alcohol 2.96
    2-ethylhexanol 0.38
    isooctanol 0.87
    dipropyl ether 0.82
    1,2-dichlorobenzene 1.57
    ethyl lactate 3.37
    propylene carbonate 10.45
    n-methylformamide 22.79
    2-pentanol 0.3
    n-pentane 0.02
    1-propoxy-2-propanol 4.98
    1-methoxy-2-propyl acetate 6.15
    2-(2-methoxypropoxy) propanol 6.56
    mesitylene 0.34
    ε-caprolactone 8.44
    p-cymene 0.34
    epichlorohydrin 22.13
    1,1,1-trichloroethane 1.59
    2-aminoethanol 5.63
    morpholine-4-carbaldehyde 57.42
    sulfolane 64.31
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.45
    n-hexyl acetate 3.72
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.48
    sec-butyl acetate 1.01
    tert-butyl acetate 2.19
    decalin 0.03
    glycerin 14.06
    diglyme 21.7
    acrylic acid 12.54
    isopropyl myristate 0.92
    n-butyric acid 4.93
    acetyl acetate 6.94
    di(2-ethylhexyl) phthalate 2.15
    ethyl propionate 1.69
    nitromethane 69.3
    1,2-diethoxyethane 3.31
    benzonitrile 2.69
    trioctyl phosphate 1.36
    1-bromopropane 0.48
    gamma-valerolactone 61.29
    n-decanol 0.72
    triethyl phosphate 1.29
    4-methyl-2-pentanol 0.26
    propionitrile 1.28
    vinylene carbonate 14.44
    1,1,2-trichlorotrifluoroethane 39.26
    DMS 4.73
    cumene 0.24
    2-octanol 0.62
    2-hexanone 1.75
    octyl acetate 1.78
    limonene 0.38
    1,2-dimethoxyethane 12.23
    ethyl orthosilicate 1.06
    tributyl phosphate 1.15
    diacetone alcohol 5.2
    N,N-dimethylaniline 1.48
    acrylonitrile 4.04
    aniline 1.85
    1,3-propanediol 5.52
    bromobenzene 1.16
    dibromomethane 1.98
    1,1,2,2-tetrachloroethane 5.48
    2-methyl-cyclohexyl acetate 1.64
    tetrabutyl urea 2.14
    diisobutyl methanol 0.24
    2-phenylethanol 2.74
    styrene 0.44
    dioctyl adipate 2.5
    dimethyl sulfate 24.91
    ethyl butyrate 1.47
    methyl lactate 10.76
    butyl lactate 4.55
    diethyl carbonate 1.09
    propanediol butyl ether 9.36
    triethyl orthoformate 1.63
    p-tert-butyltoluene 0.33
    methyl 4-tert-butylbenzoate 6.69
    morpholine 11.8
    tert-butylamine 0.15
    n-dodecanol 0.41
    dimethoxymethane 23.16
    ethylene carbonate 8.26
    cyrene 15.5
    2-ethoxyethyl acetate 9.63
    2-ethylhexyl acetate 1.01
    1,2,4-trichlorobenzene 2.58
    4-methylpyridine 4.46
    dibutyl ether 0.59
    2,6-dimethyl-4-heptanol 0.24
    DEF 6.34
    dimethyl isosorbide 13.82
    tetrachloroethylene 4.78
    eugenol 6.73
    triacetin 8.97
    span 80 6.95
    1,4-butanediol 2.61
    1,1-dichloroethane 1.33
    2-methyl-1-pentanol 0.42
    methyl formate 23.62
    2-methyl-1-butanol 0.39
    n-decane 0.06
    butyronitrile 0.87
    3,7-dimethyl-1-octanol 0.62
    1-chlorooctane 0.33
    1-chlorotetradecane 0.11
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.53
    tetrahydropyran 2.79
    tert-amyl methyl ether 0.5
    2,5,8-trioxanonane 13.87
    1-hexene 0.08
    2-isopropoxyethanol 4.63
    2,2,2-trifluoroethanol 21.59
    methyl butyrate 2.36

    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