(-)-Desoxyaloin

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  • Identifiers

    CAS number
    18262-45-8

    Molecular formula
    C21H22O8

    SMILES
    CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=CC=C3O

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  • Odor profile

    Fragrance
    Odorless 68.88%
    Phenolic 33.22%
    Sweet 31.8%
    Vanilla 29.66%
    Spicy 24.14%
    Bitter 22.57%
    Milky 19.11%
    Balsamic 18.93%
    Smoky 18.83%
    Savory 18.28%

     

    Flavor
    Bitter 87.99%
    Odorless 29.81%
    Bland 27.98%
    Sweet-like 24.39%
    Cedarleaf 21.1%
    Lovage 19.66%
    Parsley 19.28%
    Nitrile 19.26%
    Leaves 18.62%
    Basil 18.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.09 (neutral)

    Molecular weight
    402.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2374°C

    Flash point

    • 313.38 ˚C est.

  • Synonyms

    • (-)-Desoxyaloin
    • 18262-45-8
    • Anthrone, 10-beta-D-glucopyranosyl-1,8-dihydroxy-3-methyl-
    • DTXSID60939600
    • 1,5-Anhydro-1-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)hexitol
    • (1S)-1,5-Anhydro-1-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-D-glucitol
    • 18262-45-8

  • Applications

    (-)-Desoxyaloin, CAS 18262-45-8, is viewed as a chemical synthesis intermediate in organic chemistry and may be used as a chiral building block for the synthesis of optically active compounds. It may also be explored as a fragrance/odorant ingredient in perfumery and could serve as a precursor or additive in polymer and specialty plastics chemistry. Its practical applications depend on local regulations and formulation limits, and require evaluation of its physical and chemical properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.37
    methanol 20.02
    isopropanol 1.41
    water 0.37
    ethyl acetate 0.48
    n-propanol 2.92
    acetone 1.07
    n-butanol 1.11
    acetonitrile 0.47
    DMF 37.87
    toluene 0.22
    isobutanol 0.76
    1,4-dioxane 2.66
    methyl acetate 0.69
    THF 4.64
    2-butanone 1.1
    n-pentanol 0.79
    sec-butanol 0.8
    n-hexane 0.02
    ethylene glycol 21.8
    NMP 39.29
    cyclohexane 0.05
    DMSO 45.6
    n-butyl acetate 0.54
    n-octanol 0.78
    chloroform 0.11
    n-propyl acetate 0.4
    acetic acid 17.36
    dichloromethane 0.11
    cyclohexanone 2.4
    propylene glycol 18.67
    isopropyl acetate 0.35
    DMAc 35.25
    2-ethoxyethanol 11.55
    isopentanol 0.59
    n-heptane 0.06
    ethyl formate 0.89
    1,2-dichloroethane 0.19
    n-hexanol 0.92
    2-methoxyethanol 39.02
    isobutyl acetate 0.2
    tetrachloromethane 0.05
    n-pentyl acetate 0.8
    transcutol 22.91
    n-heptanol 1.4
    ethylbenzene 0.12
    MIBK 0.51
    2-propoxyethanol 13.2
    tert-butanol 0.75
    MTBE 0.2
    2-butoxyethanol 7.96
    propionic acid 3.87
    o-xylene 0.2
    formic acid 59.72
    diethyl ether 0.44
    m-xylene 0.19
    p-xylene 0.11
    chlorobenzene 0.09
    dimethyl carbonate 2.85
    n-octane 0.03
    formamide 49.95
    cyclopentanone 4.12
    2-pentanone 0.73
    anisole 0.43
    cyclopentyl methyl ether 1.22
    gamma-butyrolactone 6.55
    1-methoxy-2-propanol 21.68
    pyridine 1.97
    3-pentanone 0.72
    furfural 6.85
    n-dodecane 0.03
    diethylene glycol 27.77
    diisopropyl ether 0.1
    tert-amyl alcohol 0.62
    acetylacetone 1.55
    n-hexadecane 0.03
    acetophenone 0.94
    methyl propionate 1.56
    isopentyl acetate 0.5
    trichloroethylene 0.39
    n-nonanol 0.87
    cyclohexanol 0.86
    benzyl alcohol 1.28
    2-ethylhexanol 0.44
    isooctanol 0.83
    dipropyl ether 0.67
    1,2-dichlorobenzene 0.12
    ethyl lactate 2.74
    propylene carbonate 1.99
    n-methylformamide 19.6
    2-pentanol 0.43
    n-pentane 0.03
    1-propoxy-2-propanol 6.8
    1-methoxy-2-propyl acetate 3.2
    2-(2-methoxypropoxy) propanol 6.84
    mesitylene 0.12
    ε-caprolactone 2.88
    p-cymene 0.18
    epichlorohydrin 2.94
    1,1,1-trichloroethane 0.05
    2-aminoethanol 21.42
    morpholine-4-carbaldehyde 30.91
    sulfolane 22.98
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.04
    n-hexyl acetate 0.92
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.6
    sec-butyl acetate 0.22
    tert-butyl acetate 0.54
    decalin 0.02
    glycerin 62.1
    diglyme 13.91
    acrylic acid 7.44
    isopropyl myristate 0.36
    n-butyric acid 2.24
    acetyl acetate 0.44
    di(2-ethylhexyl) phthalate 1.0
    ethyl propionate 0.46
    nitromethane 12.43
    1,2-diethoxyethane 1.54
    benzonitrile 0.46
    trioctyl phosphate 0.8
    1-bromopropane 0.09
    gamma-valerolactone 15.36
    n-decanol 0.59
    triethyl phosphate 0.74
    4-methyl-2-pentanol 0.31
    propionitrile 0.53
    vinylene carbonate 2.17
    1,1,2-trichlorotrifluoroethane 15.5
    DMS 1.59
    cumene 0.09
    2-octanol 0.53
    2-hexanone 0.52
    octyl acetate 0.66
    limonene 0.27
    1,2-dimethoxyethane 6.18
    ethyl orthosilicate 0.63
    tributyl phosphate 0.65
    diacetone alcohol 3.79
    N,N-dimethylaniline 0.6
    acrylonitrile 1.39
    aniline 0.78
    1,3-propanediol 13.76
    bromobenzene 0.05
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.44
    2-methyl-cyclohexyl acetate 0.72
    tetrabutyl urea 1.41
    diisobutyl methanol 0.3
    2-phenylethanol 1.47
    styrene 0.11
    dioctyl adipate 0.91
    dimethyl sulfate 7.61
    ethyl butyrate 0.57
    methyl lactate 11.38
    butyl lactate 3.01
    diethyl carbonate 0.42
    propanediol butyl ether 10.01
    triethyl orthoformate 0.88
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 3.18
    morpholine 6.5
    tert-butylamine 0.22
    n-dodecanol 0.4
    dimethoxymethane 12.51
    ethylene carbonate 1.43
    cyrene 10.81
    2-ethoxyethyl acetate 2.12
    2-ethylhexyl acetate 0.35
    1,2,4-trichlorobenzene 0.22
    4-methylpyridine 0.81
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.3
    DEF 3.18
    dimethyl isosorbide 9.55
    tetrachloroethylene 0.51
    eugenol 4.32
    triacetin 2.85
    span 80 6.32
    1,4-butanediol 4.25
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.49
    methyl formate 8.9
    2-methyl-1-butanol 0.63
    n-decane 0.05
    butyronitrile 0.34
    3,7-dimethyl-1-octanol 0.5
    1-chlorooctane 0.15
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.03
    cyclopentanol 1.43
    tetrahydropyran 1.07
    tert-amyl methyl ether 0.32
    2,5,8-trioxanonane 10.5
    1-hexene 0.08
    2-isopropoxyethanol 3.66
    2,2,2-trifluoroethanol 6.3
    methyl butyrate 0.67

    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