Danielone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    90426-22-5

    Molecular formula
    C10H12O5

    SMILES
    COC1=CC(=CC(=C1O)OC)C(=O)CO

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 71.03%
    Sweet 61.38%
    Balsamic 49.17%
    Floral 46.33%
    Creamy 44.91%
    Powdery 42.78%
    Caramellic 36.43%
    Milky 35.96%
    Phenolic 34.63%
    Spicy 34.26%

     

    Flavor
    Sweet 49.66%
    Vanilla 33.72%
    Caramel 31.92%
    Creamy 31.3%
    Odorless 30.21%
    Bitter 29.89%
    Powdery 27.16%
    Woody 24.9%
    Faint 24.87%
    Bland 24.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    8.13 (weak base)

    Molecular weight
    212.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    438°C

    Melting point expt.

    • 145 °C

    Flash point

    • 179.14 ˚C est.

  • Synonyms

    • Danielone
    • 90426-22-5
    • 2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
    • alpha-Hydroxyacetosyringone
    • 3',5'-Dimethoxy-4'-hydroxy-(2-hydroxy)acetophenone
    • ST766K7C8F
    • 2,4'-dihydroxy-3',5'-dimethoxyacetophenone
    • 2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one
    • CHEBI:4316
    • DTXSID00238169
    • Ethanone, 2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-
    • RefChem:919626
    • DTXCID70160660
    • a-Hydroxyacetosyringone
    • UNII-ST766K7C8F
    • SCHEMBL1260982
    • Acetophenone, 2,4'-dihydroxy-3',5'-dimethoxy-
    • alpha-Hydroxy-3,5-dimethoxy-4-hydroxyacetophenone
    • Q10854210
    • 2-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-Ethanone
    • 1-(3,5-DIMETHOXY-4-OXIDANYL-PHENYL)-2-OXIDANYL-ETHANONE
    • 90426-22-5

  • Applications

    Danielone, CAS 90426-22-5, is considered a fragrance ingredient and may be used as an intermediate in fragrance synthesis, while it can also appear in cosmetics and personal care products to impart aroma. It may also be used in cleaning products and household items as a fragrance component or processing aid. In industrial manufacturing, Danielone can serve as an intermediate for organic synthesis or as an additive in formulations for plastics and coatings. Its use is subject to local regulations and formulation limits and should be evaluated for safety and performance within appropriate constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.52
    methanol 59.46
    isopropanol 11.1
    water 2.87
    ethyl acetate 9.33
    n-propanol 14.7
    acetone 29.11
    n-butanol 8.87
    acetonitrile 15.19
    DMF 179.62
    toluene 1.23
    isobutanol 6.61
    1,4-dioxane 43.03
    methyl acetate 20.71
    THF 71.28
    2-butanone 14.75
    n-pentanol 7.68
    sec-butanol 8.05
    n-hexane 0.2
    ethylene glycol 64.14
    NMP 164.94
    cyclohexane 0.97
    DMSO 577.64
    n-butyl acetate 7.25
    n-octanol 6.8
    chloroform 6.61
    n-propyl acetate 9.87
    acetic acid 67.12
    dichloromethane 19.1
    cyclohexanone 28.21
    propylene glycol 22.52
    isopropyl acetate 4.21
    DMAc 140.24
    2-ethoxyethanol 65.97
    isopentanol 6.77
    n-heptane 0.77
    ethyl formate 22.02
    1,2-dichloroethane 16.65
    n-hexanol 7.39
    2-methoxyethanol 125.07
    isobutyl acetate 4.19
    tetrachloromethane 1.79
    n-pentyl acetate 6.5
    transcutol 66.98
    n-heptanol 7.0
    ethylbenzene 2.05
    MIBK 4.78
    2-propoxyethanol 33.14
    tert-butanol 18.2
    MTBE 5.57
    2-butoxyethanol 24.19
    propionic acid 23.46
    o-xylene 2.94
    formic acid 149.76
    diethyl ether 4.8
    m-xylene 1.63
    p-xylene 2.89
    chlorobenzene 3.34
    dimethyl carbonate 18.08
    n-octane 0.41
    formamide 277.36
    cyclopentanone 48.74
    2-pentanone 6.96
    anisole 11.51
    cyclopentyl methyl ether 11.81
    gamma-butyrolactone 89.17
    1-methoxy-2-propanol 41.91
    pyridine 23.1
    3-pentanone 6.78
    furfural 89.02
    n-dodecane 0.4
    diethylene glycol 64.92
    diisopropyl ether 1.21
    tert-amyl alcohol 12.8
    acetylacetone 18.2
    n-hexadecane 0.45
    acetophenone 18.41
    methyl propionate 15.91
    isopentyl acetate 6.34
    trichloroethylene 22.26
    n-nonanol 6.52
    cyclohexanol 10.34
    benzyl alcohol 17.22
    2-ethylhexanol 5.52
    isooctanol 5.53
    dipropyl ether 5.39
    1,2-dichlorobenzene 6.12
    ethyl lactate 15.41
    propylene carbonate 30.73
    n-methylformamide 111.0
    2-pentanol 3.79
    n-pentane 0.24
    1-propoxy-2-propanol 17.94
    1-methoxy-2-propyl acetate 13.74
    2-(2-methoxypropoxy) propanol 25.48
    mesitylene 1.53
    ε-caprolactone 31.1
    p-cymene 3.01
    epichlorohydrin 63.89
    1,1,1-trichloroethane 4.14
    2-aminoethanol 51.57
    morpholine-4-carbaldehyde 117.53
    sulfolane 175.26
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 24.02
    n-hexyl acetate 9.29
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 31.31
    sec-butyl acetate 4.35
    tert-butyl acetate 7.41
    decalin 0.59
    glycerin 73.61
    diglyme 74.15
    acrylic acid 35.11
    isopropyl myristate 3.98
    n-butyric acid 16.81
    acetyl acetate 8.37
    di(2-ethylhexyl) phthalate 7.82
    ethyl propionate 8.46
    nitromethane 144.88
    1,2-diethoxyethane 12.35
    benzonitrile 10.67
    trioctyl phosphate 5.8
    1-bromopropane 3.1
    gamma-valerolactone 80.41
    n-decanol 4.94
    triethyl phosphate 10.5
    4-methyl-2-pentanol 2.6
    propionitrile 8.72
    vinylene carbonate 30.77
    1,1,2-trichlorotrifluoroethane 83.71
    DMS 13.46
    cumene 2.24
    2-octanol 3.76
    2-hexanone 8.58
    octyl acetate 6.01
    limonene 4.36
    1,2-dimethoxyethane 74.96
    ethyl orthosilicate 8.35
    tributyl phosphate 5.87
    diacetone alcohol 21.97
    N,N-dimethylaniline 12.91
    acrylonitrile 19.91
    aniline 7.95
    1,3-propanediol 49.33
    bromobenzene 2.59
    dibromomethane 7.84
    1,1,2,2-tetrachloroethane 17.3
    2-methyl-cyclohexyl acetate 10.4
    tetrabutyl urea 10.47
    diisobutyl methanol 3.58
    2-phenylethanol 13.24
    styrene 2.42
    dioctyl adipate 10.36
    dimethyl sulfate 54.18
    ethyl butyrate 8.68
    methyl lactate 26.9
    butyl lactate 9.87
    diethyl carbonate 9.1
    propanediol butyl ether 21.39
    triethyl orthoformate 9.4
    p-tert-butyltoluene 2.87
    methyl 4-tert-butylbenzoate 20.38
    morpholine 56.33
    tert-butylamine 6.29
    n-dodecanol 3.71
    dimethoxymethane 60.68
    ethylene carbonate 21.77
    cyrene 44.86
    2-ethoxyethyl acetate 13.67
    2-ethylhexyl acetate 4.87
    1,2,4-trichlorobenzene 8.94
    4-methylpyridine 12.78
    dibutyl ether 4.55
    2,6-dimethyl-4-heptanol 3.58
    DEF 28.32
    dimethyl isosorbide 44.74
    tetrachloroethylene 14.61
    eugenol 21.83
    triacetin 18.53
    span 80 17.58
    1,4-butanediol 22.02
    1,1-dichloroethane 3.88
    2-methyl-1-pentanol 6.53
    methyl formate 86.82
    2-methyl-1-butanol 6.51
    n-decane 0.63
    butyronitrile 6.99
    3,7-dimethyl-1-octanol 5.02
    1-chlorooctane 2.47
    1-chlorotetradecane 1.14
    n-nonane 0.53
    undecane 0.49
    tert-butylcyclohexane 0.41
    cyclooctane 0.39
    cyclopentanol 17.26
    tetrahydropyran 14.85
    tert-amyl methyl ether 5.65
    2,5,8-trioxanonane 53.38
    1-hexene 0.8
    2-isopropoxyethanol 27.82
    2,2,2-trifluoroethanol 43.32
    methyl butyrate 14.2

    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