Aloinoside A

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  • Identifiers

    CAS number
    56645-88-6

    Molecular formula
    C27H32O13

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC2=CC3=C(C(=C2)O)C(=O)C4=C([C@@H]3[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=CC=C4O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.44%
    Sweet 33.16%
    Vanilla 31.46%
    Milky 21.61%
    Phenolic 21.2%
    Bitter 20.13%
    Savory 19.59%
    Spicy 18.33%
    Creamy 17.86%
    Smoky 16.77%

     

    Flavor
    Bitter 77.31%
    Odorless 34.0%
    Bland 31.02%
    Sweet-like 27.76%
    Cedarleaf 20.59%
    Very slight 19.09%
    Parsley 19.05%
    Nitrile 18.94%
    Lovage 18.93%
    Alkaline 18.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.2

    pKa est.
    5.68 (weak acid)

    Molecular weight
    564.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5129°C

    Flash point

    • 321.1 ˚C est.

  • Synonyms

    • Aloinoside A
    • 56645-88-6
    • Aloinoside
    • LYY9W25GAJ
    • (10S)-1,8-Dihydroxy-10-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)-10H-anthracen-9-one
    • (10S)-3-(((6-Deoxy-alpha-L-mannopyranosyl)oxy)methyl)-10-beta-D-glucopyranosyl-1,8-dihydroxy-9(10H)-anthracenone
    • 9(10H)-Anthracenone, 3-(((6-deoxy-alpha-L-mannopyranosyl)oxy)methyl)-10-beta-D-glucopyranosyl-1,8-dihydroxy-, (10S)-
    • (10S)-1,8-dihydroxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-10H-anthracen-9-one
    • RefChem:27246
    • UNII-LYY9W25GAJ
    • orb1941633
    • SCHEMBL30099038
    • CHEBI:81331
    • HY-N12450
    • DA-50345
    • CS-0906987
    • C17779
    • H50849
    • Q27155270
    • (10S)-3-(((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)METHYL)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-9(10H)-ANTHRACENONE
    • 9(10H)-ANTHRACENONE, 3-(((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)METHYL)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-, (10S)-
    • 56645-88-6

  • Applications

    Aloinoside A (CAS 56645-88-6) is a natural glycoside that is mainly of interest as a synthetic intermediate and a structuring scaffold for chemical manufacture; in cosmetics and personal care it may be used as a fragrance precursor or skin-care ingredient; in pharmaceutical research it is evaluated as a natural-product scaffold or lead compound for synthesis; in flavor and fragrance applications it can be explored as an odorant or fragrance precursor; overall, usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.93
    methanol 27.27
    isopropanol 1.07
    water 0.34
    ethyl acetate 0.44
    n-propanol 2.63
    acetone 1.75
    n-butanol 1.22
    acetonitrile 0.42
    DMF 22.47
    toluene 0.14
    isobutanol 0.62
    1,4-dioxane 3.78
    methyl acetate 0.66
    THF 6.17
    2-butanone 1.22
    n-pentanol 0.58
    sec-butanol 0.7
    n-hexane 0.01
    ethylene glycol 14.05
    NMP 18.23
    cyclohexane 0.02
    DMSO 26.53
    n-butyl acetate 0.16
    n-octanol 0.44
    chloroform 0.16
    n-propyl acetate 0.18
    acetic acid 12.13
    dichloromethane 0.2
    cyclohexanone 1.77
    propylene glycol 11.45
    isopropyl acetate 0.22
    DMAc 17.0
    2-ethoxyethanol 8.39
    isopentanol 0.4
    n-heptane 0.02
    ethyl formate 0.99
    1,2-dichloroethane 0.2
    n-hexanol 0.35
    2-methoxyethanol 30.35
    isobutyl acetate 0.07
    tetrachloromethane 0.04
    n-pentyl acetate 0.45
    transcutol 10.03
    n-heptanol 0.61
    ethylbenzene 0.05
    MIBK 0.25
    2-propoxyethanol 5.29
    tert-butanol 0.36
    MTBE 0.14
    2-butoxyethanol 4.06
    propionic acid 2.29
    o-xylene 0.09
    formic acid 39.87
    diethyl ether 0.49
    m-xylene 0.08
    p-xylene 0.04
    chlorobenzene 0.06
    dimethyl carbonate 1.47
    n-octane 0.02
    formamide 27.22
    cyclopentanone 3.19
    2-pentanone 0.77
    anisole 0.2
    cyclopentyl methyl ether 0.74
    gamma-butyrolactone 4.08
    1-methoxy-2-propanol 11.51
    pyridine 1.68
    3-pentanone 0.54
    furfural 4.1
    n-dodecane 0.01
    diethylene glycol 11.24
    diisopropyl ether 0.05
    tert-amyl alcohol 0.33
    acetylacetone 1.27
    n-hexadecane 0.01
    acetophenone 0.33
    methyl propionate 1.04
    isopentyl acetate 0.12
    trichloroethylene 0.37
    n-nonanol 0.45
    cyclohexanol 0.51
    benzyl alcohol 0.64
    2-ethylhexanol 0.12
    isooctanol 0.29
    dipropyl ether 0.27
    1,2-dichlorobenzene 0.05
    ethyl lactate 0.85
    propylene carbonate 0.94
    n-methylformamide 13.0
    2-pentanol 0.32
    n-pentane 0.02
    1-propoxy-2-propanol 2.28
    1-methoxy-2-propyl acetate 0.9
    2-(2-methoxypropoxy) propanol 2.3
    mesitylene 0.04
    ε-caprolactone 1.72
    p-cymene 0.04
    epichlorohydrin 2.79
    1,1,1-trichloroethane 0.04
    2-aminoethanol 13.32
    morpholine-4-carbaldehyde 18.82
    sulfolane 9.7
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.03
    n-hexyl acetate 0.46
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.32
    sec-butyl acetate 0.09
    tert-butyl acetate 0.2
    decalin 0.01
    glycerin 32.03
    diglyme 6.46
    acrylic acid 4.35
    isopropyl myristate 0.12
    n-butyric acid 1.59
    acetyl acetate 0.3
    di(2-ethylhexyl) phthalate 0.29
    ethyl propionate 0.21
    nitromethane 9.07
    1,2-diethoxyethane 0.89
    benzonitrile 0.19
    trioctyl phosphate 0.25
    1-bromopropane 0.09
    gamma-valerolactone 12.84
    n-decanol 0.28
    triethyl phosphate 0.15
    4-methyl-2-pentanol 0.12
    propionitrile 0.34
    vinylene carbonate 1.14
    1,1,2-trichlorotrifluoroethane 8.26
    DMS 0.48
    cumene 0.03
    2-octanol 0.26
    2-hexanone 0.27
    octyl acetate 0.28
    limonene 0.07
    1,2-dimethoxyethane 4.4
    ethyl orthosilicate 0.14
    tributyl phosphate 0.17
    diacetone alcohol 1.4
    N,N-dimethylaniline 0.19
    acrylonitrile 0.79
    aniline 0.46
    1,3-propanediol 10.87
    bromobenzene 0.03
    dibromomethane 0.1
    1,1,2,2-tetrachloroethane 0.32
    2-methyl-cyclohexyl acetate 0.14
    tetrabutyl urea 0.42
    diisobutyl methanol 0.07
    2-phenylethanol 0.39
    styrene 0.05
    dioctyl adipate 0.32
    dimethyl sulfate 2.81
    ethyl butyrate 0.18
    methyl lactate 4.62
    butyl lactate 1.11
    diethyl carbonate 0.11
    propanediol butyl ether 5.22
    triethyl orthoformate 0.25
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.84
    morpholine 7.03
    tert-butylamine 0.09
    n-dodecanol 0.16
    dimethoxymethane 9.28
    ethylene carbonate 0.75
    cyrene 3.93
    2-ethoxyethyl acetate 1.25
    2-ethylhexyl acetate 0.09
    1,2,4-trichlorobenzene 0.08
    4-methylpyridine 0.61
    dibutyl ether 0.19
    2,6-dimethyl-4-heptanol 0.07
    DEF 2.03
    dimethyl isosorbide 2.58
    tetrachloroethylene 0.34
    eugenol 1.24
    triacetin 1.05
    span 80 2.61
    1,4-butanediol 2.95
    1,1-dichloroethane 0.07
    2-methyl-1-pentanol 0.24
    methyl formate 7.62
    2-methyl-1-butanol 0.48
    n-decane 0.02
    butyronitrile 0.24
    3,7-dimethyl-1-octanol 0.16
    1-chlorooctane 0.08
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.99
    tetrahydropyran 1.1
    tert-amyl methyl ether 0.19
    2,5,8-trioxanonane 4.55
    1-hexene 0.03
    2-isopropoxyethanol 2.08
    2,2,2-trifluoroethanol 4.03
    methyl butyrate 0.32

    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