Domesticoside

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  • Identifiers

    CAS number
    24587-97-1

    Molecular formula
    C15H20O9

    SMILES
    CC(=O)C1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 65.22%
    Sweet 43.97%
    Vanilla 39.96%
    Milky 25.26%
    Creamy 24.65%
    Phenolic 22.32%
    Balsamic 20.41%
    Spicy 18.9%
    Powdery 18.89%
    Caramellic 18.3%

     

    Flavor
    Bitter 62.68%
    Odorless 37.19%
    Bland 32.98%
    Sweet-like 27.39%
    Very mild 22.26%
    Mild 21.04%
    Parsley 20.74%
    Cedarleaf 20.59%
    Eugenol 20.4%
    Very slight 19.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    6.64 (neutral)

    Molecular weight
    344.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1642°C

    Flash point

    • 250.38 ˚C est.

  • Synonyms

    • pleoside
    • Domesticoside
    • CHEMBL490704
    • 2-Acetyl-3-hydroxy-5-methoxyphenyl beta-D-glucopyranoside
    • DTXSID701317645
    • 24587-97-1
    • 24587-97-1

  • Applications

    Domesticoside (CAS 24587-97-1) is primarily used as an intermediate in organic synthesis, notably as a glycoside-type building block for derivatization in pharmaceutical and agrochemical research. It may be evaluated for cosmetic/personal-care applications as a fragrance-related ingredient or solubilizer, and for coatings, inks, and polymer formulations as a specialty intermediate or functional precursor. In polymer science it can serve as a monomer precursor for glycoside-containing polymers or as a processing additive in some formulations. It is also studied as a lead compound in agricultural chemistry and may be used in cleaning formulations as a processing aid or surfactant precursor; utilization is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.56
    methanol 45.15
    isopropanol 2.79
    water 3.48
    ethyl acetate 0.61
    n-propanol 5.45
    acetone 2.49
    n-butanol 2.76
    acetonitrile 0.96
    DMF 161.11
    toluene 0.11
    isobutanol 1.81
    1,4-dioxane 2.7
    methyl acetate 1.2
    THF 8.04
    2-butanone 1.97
    n-pentanol 1.14
    sec-butanol 2.2
    n-hexane 0.04
    ethylene glycol 54.71
    NMP 157.93
    cyclohexane 0.1
    DMSO 509.96
    n-butyl acetate 0.52
    n-octanol 0.92
    chloroform 0.27
    n-propyl acetate 0.46
    acetic acid 46.15
    dichloromethane 0.34
    cyclohexanone 4.44
    propylene glycol 50.27
    isopropyl acetate 0.45
    DMAc 123.06
    2-ethoxyethanol 22.24
    isopentanol 1.49
    n-heptane 0.08
    ethyl formate 1.89
    1,2-dichloroethane 0.52
    n-hexanol 1.21
    2-methoxyethanol 92.02
    isobutyl acetate 0.23
    tetrachloromethane 0.12
    n-pentyl acetate 0.55
    transcutol 30.57
    n-heptanol 1.2
    ethylbenzene 0.09
    MIBK 1.0
    2-propoxyethanol 15.71
    tert-butanol 3.09
    MTBE 0.43
    2-butoxyethanol 7.24
    propionic acid 9.17
    o-xylene 0.21
    formic acid 201.39
    diethyl ether 0.47
    m-xylene 0.16
    p-xylene 0.1
    chlorobenzene 0.08
    dimethyl carbonate 4.44
    n-octane 0.04
    formamide 187.81
    cyclopentanone 9.15
    2-pentanone 1.39
    anisole 0.46
    cyclopentyl methyl ether 1.99
    gamma-butyrolactone 16.43
    1-methoxy-2-propanol 43.24
    pyridine 1.49
    3-pentanone 1.24
    furfural 15.68
    n-dodecane 0.03
    diethylene glycol 43.97
    diisopropyl ether 0.14
    tert-amyl alcohol 2.51
    acetylacetone 3.39
    n-hexadecane 0.03
    acetophenone 1.2
    methyl propionate 2.71
    isopentyl acetate 0.58
    trichloroethylene 0.95
    n-nonanol 0.94
    cyclohexanol 2.34
    benzyl alcohol 1.47
    2-ethylhexanol 0.61
    isooctanol 0.85
    dipropyl ether 0.72
    1,2-dichlorobenzene 0.16
    ethyl lactate 4.35
    propylene carbonate 4.34
    n-methylformamide 66.29
    2-pentanol 1.09
    n-pentane 0.06
    1-propoxy-2-propanol 7.81
    1-methoxy-2-propyl acetate 3.57
    2-(2-methoxypropoxy) propanol 11.38
    mesitylene 0.14
    ε-caprolactone 5.26
    p-cymene 0.18
    epichlorohydrin 6.17
    1,1,1-trichloroethane 0.17
    2-aminoethanol 54.32
    morpholine-4-carbaldehyde 61.94
    sulfolane 90.53
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 1.72
    n-hexyl acetate 0.95
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 12.57
    sec-butyl acetate 0.27
    tert-butyl acetate 0.97
    decalin 0.04
    glycerin 155.33
    diglyme 21.31
    acrylic acid 16.9
    isopropyl myristate 0.41
    n-butyric acid 4.76
    acetyl acetate 0.75
    di(2-ethylhexyl) phthalate 1.24
    ethyl propionate 0.66
    nitromethane 42.98
    1,2-diethoxyethane 1.28
    benzonitrile 0.5
    trioctyl phosphate 1.08
    1-bromopropane 0.18
    gamma-valerolactone 27.61
    n-decanol 0.68
    triethyl phosphate 1.31
    4-methyl-2-pentanol 0.67
    propionitrile 0.92
    vinylene carbonate 4.27
    1,1,2-trichlorotrifluoroethane 39.4
    DMS 1.83
    cumene 0.09
    2-octanol 0.53
    2-hexanone 0.69
    octyl acetate 0.7
    limonene 0.34
    1,2-dimethoxyethane 12.1
    ethyl orthosilicate 0.98
    tributyl phosphate 1.09
    diacetone alcohol 8.91
    N,N-dimethylaniline 0.77
    acrylonitrile 2.44
    aniline 0.7
    1,3-propanediol 34.74
    bromobenzene 0.05
    dibromomethane 0.19
    1,1,2,2-tetrachloroethane 1.12
    2-methyl-cyclohexyl acetate 0.98
    tetrabutyl urea 2.44
    diisobutyl methanol 0.5
    2-phenylethanol 1.27
    styrene 0.07
    dioctyl adipate 1.27
    dimethyl sulfate 23.19
    ethyl butyrate 0.81
    methyl lactate 21.68
    butyl lactate 2.82
    diethyl carbonate 0.66
    propanediol butyl ether 10.88
    triethyl orthoformate 1.09
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 4.14
    morpholine 7.96
    tert-butylamine 0.71
    n-dodecanol 0.47
    dimethoxymethane 21.85
    ethylene carbonate 2.51
    cyrene 20.21
    2-ethoxyethyl acetate 1.41
    2-ethylhexyl acetate 0.39
    1,2,4-trichlorobenzene 0.31
    4-methylpyridine 0.82
    dibutyl ether 0.39
    2,6-dimethyl-4-heptanol 0.5
    DEF 7.5
    dimethyl isosorbide 17.27
    tetrachloroethylene 0.97
    eugenol 4.96
    triacetin 3.23
    span 80 7.58
    1,4-butanediol 10.08
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 0.81
    methyl formate 25.26
    2-methyl-1-butanol 1.7
    n-decane 0.05
    butyronitrile 0.58
    3,7-dimethyl-1-octanol 0.72
    1-chlorooctane 0.17
    1-chlorotetradecane 0.08
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.03
    cyclooctane 0.05
    cyclopentanol 3.81
    tetrahydropyran 1.17
    tert-amyl methyl ether 0.76
    2,5,8-trioxanonane 17.86
    1-hexene 0.09
    2-isopropoxyethanol 5.92
    2,2,2-trifluoroethanol 24.27
    methyl butyrate 1.13

    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