Crosatoside B

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  • Identifiers

    CAS number
    139742-28-2

    Molecular formula
    C20H30O11

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC=C(C=C3)O)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.41%
    Sweet 46.98%
    Vanilla 32.88%
    Bitter 21.81%
    Milky 21.17%
    Creamy 20.43%
    Phenolic 19.04%
    Caramellic 18.76%
    Savory 18.29%
    Balsamic 17.62%

     

    Flavor
    Sweet 58.29%
    Bitter 53.98%
    Odorless 41.94%
    Sweet-like 30.66%
    Fatty 27.62%
    Cauliflower 22.05%
    Bland 21.87%
    Very slight 21.83%
    Naphthalic 21.29%
    Soup 20.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.5

    pKa est.
    5.71 (weak acid)

    Molecular weight
    446.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3040°C

    Flash point

    • 240.6 ˚C est.

  • Synonyms

    • crosatoside B
    • CHEBI:134473
    • 2-(4-hydroxyphenyl)ethyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • 139742-28-2
    • 2-(4-hydroxyphenyl)ethyl alpha-L-rhamnosyl-(1->2)-beta-D-glucoside
    • 2-(4-hydroxyphenyl)ethyl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside
    • 2-(4-hydroxyphenyl)ethyl alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
    • RefChem:128524
    • 2-(4-Hydroxyphenyl)ethyl a-L-rhamnosyl-(1->2)-b-D-glucoside
    • 2-(4-Hydroxyphenyl)ethyl I+--L-rhamnosyl-(1->2)-I2-D-glucoside
    • 2-(4-Hydroxyphenyl)ethyl a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside
    • 2-(4-Hydroxyphenyl)ethyl I+--L-rhamnopyranosyl-(1->2)-I2-D-glucopyranoside
    • DTXSID101317704
    • 139742-28-2

  • Applications

    Crosatoside B (CAS 139742-28-2) is a natural glycoside that is primarily encountered in research and development, serving as an intermediate for organic synthesis and as an analytical reference material in glycoside chemistry and natural product analysis. In pharmaceutical development it is commonly evaluated as a building block or scaffold for glycoside-inspired compounds; in analytical chemistry it supports isolation, structure elucidation, and quality control of related natural products. In cosmetics and personal care research it may be explored as a botanical extract component within complex formulations. Its use in agriculture or plant science is typically exploratory and subject to regulatory compliance. Overall, Crosatoside B is treated as a research reagent and potential intermediate with applicability depending on regional regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.14
    methanol 42.34
    isopropanol 2.98
    water 20.02
    ethyl acetate 2.25
    n-propanol 5.96
    acetone 6.73
    n-butanol 5.76
    acetonitrile 2.35
    DMF 71.54
    toluene 0.79
    isobutanol 1.76
    1,4-dioxane 11.26
    methyl acetate 2.1
    THF 16.54
    2-butanone 3.18
    n-pentanol 1.63
    sec-butanol 2.39
    n-hexane 0.04
    ethylene glycol 44.65
    NMP 61.85
    cyclohexane 0.27
    DMSO 383.83
    n-butyl acetate 0.38
    n-octanol 1.71
    chloroform 0.66
    n-propyl acetate 0.45
    acetic acid 59.39
    dichloromethane 0.89
    cyclohexanone 7.42
    propylene glycol 28.08
    isopropyl acetate 1.28
    DMAc 65.75
    2-ethoxyethanol 26.71
    isopentanol 2.24
    n-heptane 0.19
    ethyl formate 3.21
    1,2-dichloroethane 1.2
    n-hexanol 1.24
    2-methoxyethanol 95.71
    isobutyl acetate 0.19
    tetrachloromethane 0.25
    n-pentyl acetate 1.09
    transcutol 38.22
    n-heptanol 2.06
    ethylbenzene 0.22
    MIBK 1.52
    2-propoxyethanol 12.49
    tert-butanol 1.88
    MTBE 0.68
    2-butoxyethanol 9.7
    propionic acid 7.76
    o-xylene 0.69
    formic acid 192.89
    diethyl ether 1.77
    m-xylene 0.57
    p-xylene 0.2
    chlorobenzene 0.27
    dimethyl carbonate 6.85
    n-octane 0.13
    formamide 147.19
    cyclopentanone 12.41
    2-pentanone 3.72
    anisole 0.88
    cyclopentyl methyl ether 4.88
    gamma-butyrolactone 14.88
    1-methoxy-2-propanol 40.8
    pyridine 4.38
    3-pentanone 2.45
    furfural 16.25
    n-dodecane 0.08
    diethylene glycol 34.17
    diisopropyl ether 0.36
    tert-amyl alcohol 1.94
    acetylacetone 8.9
    n-hexadecane 0.09
    acetophenone 1.52
    methyl propionate 4.61
    isopentyl acetate 0.39
    trichloroethylene 1.91
    n-nonanol 1.7
    cyclohexanol 4.48
    benzyl alcohol 2.35
    2-ethylhexanol 0.58
    isooctanol 1.24
    dipropyl ether 1.04
    1,2-dichlorobenzene 0.31
    ethyl lactate 2.84
    propylene carbonate 3.87
    n-methylformamide 35.06
    2-pentanol 2.11
    n-pentane 0.12
    1-propoxy-2-propanol 5.89
    1-methoxy-2-propyl acetate 2.92
    2-(2-methoxypropoxy) propanol 8.25
    mesitylene 0.35
    ε-caprolactone 6.77
    p-cymene 0.26
    epichlorohydrin 10.1
    1,1,1-trichloroethane 0.33
    2-aminoethanol 38.85
    morpholine-4-carbaldehyde 57.05
    sulfolane 58.89
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 4.41
    n-hexyl acetate 1.42
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 14.45
    sec-butyl acetate 0.32
    tert-butyl acetate 1.34
    decalin 0.06
    glycerin 99.82
    diglyme 24.43
    acrylic acid 15.47
    isopropyl myristate 0.51
    n-butyric acid 8.53
    acetyl acetate 2.44
    di(2-ethylhexyl) phthalate 1.14
    ethyl propionate 0.8
    nitromethane 49.72
    1,2-diethoxyethane 2.97
    benzonitrile 0.77
    trioctyl phosphate 0.92
    1-bromopropane 0.41
    gamma-valerolactone 36.29
    n-decanol 1.17
    triethyl phosphate 0.82
    4-methyl-2-pentanol 0.79
    propionitrile 1.08
    vinylene carbonate 4.2
    1,1,2-trichlorotrifluoroethane 28.6
    DMS 1.91
    cumene 0.15
    2-octanol 0.99
    2-hexanone 0.68
    octyl acetate 0.99
    limonene 0.49
    1,2-dimethoxyethane 12.68
    ethyl orthosilicate 0.77
    tributyl phosphate 0.71
    diacetone alcohol 7.86
    N,N-dimethylaniline 0.97
    acrylonitrile 2.48
    aniline 2.61
    1,3-propanediol 47.55
    bromobenzene 0.18
    dibromomethane 0.5
    1,1,2,2-tetrachloroethane 1.91
    2-methyl-cyclohexyl acetate 0.68
    tetrabutyl urea 1.59
    diisobutyl methanol 0.45
    2-phenylethanol 1.58
    styrene 0.23
    dioctyl adipate 1.24
    dimethyl sulfate 19.44
    ethyl butyrate 0.61
    methyl lactate 17.85
    butyl lactate 2.64
    diethyl carbonate 0.45
    propanediol butyl ether 12.51
    triethyl orthoformate 0.94
    p-tert-butyltoluene 0.29
    methyl 4-tert-butylbenzoate 4.14
    morpholine 19.82
    tert-butylamine 0.48
    n-dodecanol 0.79
    dimethoxymethane 29.46
    ethylene carbonate 3.04
    cyrene 14.47
    2-ethoxyethyl acetate 3.12
    2-ethylhexyl acetate 0.28
    1,2,4-trichlorobenzene 0.55
    4-methylpyridine 2.42
    dibutyl ether 0.8
    2,6-dimethyl-4-heptanol 0.45
    DEF 10.8
    dimethyl isosorbide 10.86
    tetrachloroethylene 1.8
    eugenol 4.75
    triacetin 3.93
    span 80 7.93
    1,4-butanediol 10.27
    1,1-dichloroethane 0.38
    2-methyl-1-pentanol 0.94
    methyl formate 21.6
    2-methyl-1-butanol 2.27
    n-decane 0.17
    butyronitrile 1.13
    3,7-dimethyl-1-octanol 0.86
    1-chlorooctane 0.42
    1-chlorotetradecane 0.16
    n-nonane 0.15
    undecane 0.11
    tert-butylcyclohexane 0.03
    cyclooctane 0.18
    cyclopentanol 5.41
    tetrahydropyran 4.4
    tert-amyl methyl ether 1.16
    2,5,8-trioxanonane 19.24
    1-hexene 0.11
    2-isopropoxyethanol 7.13
    2,2,2-trifluoroethanol 24.3
    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