Cascaroside E

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  • Identifiers

    CAS number
    164178-32-9

    Molecular formula
    C27H32O14

    SMILES
    CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 77.33%
    Sweet 28.85%
    Vanilla 26.17%
    Phenolic 22.45%
    Milky 19.68%
    Bitter 19.03%
    Savory 18.96%
    Spicy 18.07%
    Cooling 16.15%
    Balsamic 16.12%

     

    Flavor
    Bitter 76.64%
    Odorless 35.62%
    Bland 32.07%
    Sweet-like 27.97%
    Cedarleaf 20.53%
    Very mild 19.47%
    Parsley 19.14%
    Very slight 19.02%
    Nitrile 18.95%
    Lovage 18.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    5.49 (weak acid)

    Molecular weight
    580.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5835°C

    Flash point

    • 336.44 ˚C est.

  • Synonyms

    • Cascaroside E
    • UNII-70L96GE97H
    • 70L96GE97H
    • 164178-32-9
    • 9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-1-(beta-D-glucopyranosyloxy)-3,8-dihydroxy-6-methyl-, (9R)-
    • RefChem:31679
    • CASCAROSIDE E (CONSTITUENT OF CASCARA SAGRADA)
    • Q27265869
    • CASCAROSIDE E (CONSTITUENT OF CASCARA SAGRADA) [DSC]
    • 9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-1-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,8-DIHYDROXY-6-METHYL-, (9R)-
    • 164178-32-9

  • Applications

    Cascaroside E (CAS 164178-32-9) is a natural glycoside of interest primarily as a precursor for aroma-related applications and as an intermediate in organic synthesis. In fragrance and perfumery, it is considered as a scent precursor or odorant component; in flavor chemistry, it may be explored as a precursor to aroma compounds under controlled processing; in cosmetics and personal care, it can be incorporated in formulations as a fragrance-related ingredient. In industrial manufacturing, Cascaroside E serves as a starting material for the synthesis of glycoside-derived building blocks for specialty chemicals, including potential bio-based additives for polymers/plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.49
    methanol 21.1
    isopropanol 0.79
    water 0.38
    ethyl acetate 0.5
    n-propanol 2.18
    acetone 1.34
    n-butanol 0.89
    acetonitrile 0.49
    DMF 27.09
    toluene 0.14
    isobutanol 0.55
    1,4-dioxane 2.7
    methyl acetate 0.9
    THF 4.27
    2-butanone 1.22
    n-pentanol 0.45
    sec-butanol 0.63
    n-hexane 0.01
    ethylene glycol 14.43
    NMP 28.08
    cyclohexane 0.02
    DMSO 23.66
    n-butyl acetate 0.23
    n-octanol 0.35
    chloroform 0.21
    n-propyl acetate 0.24
    acetic acid 13.18
    dichloromethane 0.28
    cyclohexanone 1.56
    propylene glycol 13.65
    isopropyl acetate 0.22
    DMAc 22.35
    2-ethoxyethanol 6.96
    isopentanol 0.31
    n-heptane 0.02
    ethyl formate 1.08
    1,2-dichloroethane 0.25
    n-hexanol 0.29
    2-methoxyethanol 24.8
    isobutyl acetate 0.09
    tetrachloromethane 0.05
    n-pentyl acetate 0.43
    transcutol 9.97
    n-heptanol 0.49
    ethylbenzene 0.05
    MIBK 0.22
    2-propoxyethanol 5.32
    tert-butanol 0.3
    MTBE 0.14
    2-butoxyethanol 3.65
    propionic acid 3.18
    o-xylene 0.1
    formic acid 45.33
    diethyl ether 0.39
    m-xylene 0.08
    p-xylene 0.04
    chlorobenzene 0.06
    dimethyl carbonate 1.99
    n-octane 0.01
    formamide 29.94
    cyclopentanone 3.16
    2-pentanone 0.66
    anisole 0.2
    cyclopentyl methyl ether 0.68
    gamma-butyrolactone 5.29
    1-methoxy-2-propanol 10.98
    pyridine 1.64
    3-pentanone 0.58
    furfural 4.89
    n-dodecane 0.01
    diethylene glycol 12.12
    diisopropyl ether 0.04
    tert-amyl alcohol 0.33
    acetylacetone 1.22
    n-hexadecane 0.01
    acetophenone 0.37
    methyl propionate 1.38
    isopentyl acetate 0.15
    trichloroethylene 0.49
    n-nonanol 0.36
    cyclohexanol 0.44
    benzyl alcohol 0.59
    2-ethylhexanol 0.11
    isooctanol 0.25
    dipropyl ether 0.27
    1,2-dichlorobenzene 0.06
    ethyl lactate 1.2
    propylene carbonate 1.24
    n-methylformamide 14.94
    2-pentanol 0.27
    n-pentane 0.02
    1-propoxy-2-propanol 2.67
    1-methoxy-2-propyl acetate 1.2
    2-(2-methoxypropoxy) propanol 2.67
    mesitylene 0.04
    ε-caprolactone 1.84
    p-cymene 0.04
    epichlorohydrin 2.71
    1,1,1-trichloroethane 0.05
    2-aminoethanol 13.19
    morpholine-4-carbaldehyde 20.95
    sulfolane 12.98
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.9
    n-hexyl acetate 0.44
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.07
    sec-butyl acetate 0.11
    tert-butyl acetate 0.22
    decalin 0.01
    glycerin 41.24
    diglyme 6.56
    acrylic acid 6.27
    isopropyl myristate 0.12
    n-butyric acid 1.75
    acetyl acetate 0.36
    di(2-ethylhexyl) phthalate 0.29
    ethyl propionate 0.28
    nitromethane 11.0
    1,2-diethoxyethane 0.82
    benzonitrile 0.22
    trioctyl phosphate 0.26
    1-bromopropane 0.1
    gamma-valerolactone 12.16
    n-decanol 0.22
    triethyl phosphate 0.22
    4-methyl-2-pentanol 0.1
    propionitrile 0.41
    vinylene carbonate 1.55
    1,1,2-trichlorotrifluoroethane 10.95
    DMS 0.67
    cumene 0.03
    2-octanol 0.21
    2-hexanone 0.28
    octyl acetate 0.27
    limonene 0.07
    1,2-dimethoxyethane 3.87
    ethyl orthosilicate 0.19
    tributyl phosphate 0.19
    diacetone alcohol 1.39
    N,N-dimethylaniline 0.2
    acrylonitrile 1.06
    aniline 0.47
    1,3-propanediol 8.66
    bromobenzene 0.04
    dibromomethane 0.13
    1,1,2,2-tetrachloroethane 0.42
    2-methyl-cyclohexyl acetate 0.19
    tetrabutyl urea 0.44
    diisobutyl methanol 0.06
    2-phenylethanol 0.4
    styrene 0.05
    dioctyl adipate 0.32
    dimethyl sulfate 4.68
    ethyl butyrate 0.24
    methyl lactate 6.86
    butyl lactate 1.31
    diethyl carbonate 0.17
    propanediol butyl ether 5.07
    triethyl orthoformate 0.33
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.94
    morpholine 5.4
    tert-butylamine 0.08
    n-dodecanol 0.13
    dimethoxymethane 8.91
    ethylene carbonate 0.96
    cyrene 4.7
    2-ethoxyethyl acetate 1.26
    2-ethylhexyl acetate 0.12
    1,2,4-trichlorobenzene 0.11
    4-methylpyridine 0.63
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.06
    DEF 2.16
    dimethyl isosorbide 3.14
    tetrachloroethylene 0.41
    eugenol 1.38
    triacetin 1.29
    span 80 2.74
    1,4-butanediol 2.57
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.2
    methyl formate 8.87
    2-methyl-1-butanol 0.42
    n-decane 0.02
    butyronitrile 0.25
    3,7-dimethyl-1-octanol 0.14
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.91
    tetrahydropyran 0.86
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 4.57
    1-hexene 0.03
    2-isopropoxyethanol 1.97
    2,2,2-trifluoroethanol 5.33
    methyl butyrate 0.4

    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