Dimethylhydroxy dihydroflavone

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  • Identifiers

    CAS number
    179125-68-9

    Molecular formula
    C17H16O3

    SMILES
    CC1=CC=C(C=C1)[C@@H]2[C@@](C(=O)C3=CC=CC=C3O2)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 69.28%
    Floral 48.65%
    Vanilla 40.21%
    Powdery 39.3%
    Phenolic 36.07%
    Coumarinic 34.33%
    Honey 32.57%
    Hay 31.27%
    Almond 29.89%
    Bitter 29.67%

     

    Flavor
    Bitter 72.88%
    Sweet 42.86%
    Herbal 31.01%
    Balsam 27.32%
    Powdery 25.88%
    Vanilla 22.42%
    Minty 22.25%
    Tonka 21.74%
    Tobacco 21.26%
    Woody 20.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.25 (weak base)

    Molecular weight
    268.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    441°C

    Flash point

    • 170.36 ˚C est.

  • Synonyms

    • Dimethylhydroxy dihydroflavone
    • 179125-68-9
    • 1I7CW0S81Z
    • trans-3,4'-dimethyl-3-hydroxyflavanone
    • FN-502S1
    • RefChem:920335
    • t-Flavanone, (2R,3R)-
    • PDT67A9720
    • Dimethylhydroxydihydroflavone (2R,3R)-
    • Dimethylhydroxy dihydroflavone, (2R,3R)-
    • (2R,3R)-3-hydroxy-3-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
    • trans-3,4'-Dimethyl-3-hydroxyflavanone, (2R,3R)-
    • t-Flavanone
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-3-hydroxy-3-methyl-2-(4-methylphenyl)-, (2R,3R)-
    • 883887-18-1
    • UNII-1I7CW0S81Z
    • UNII-PDT67A9720
    • SCHEMBL29356678
    • DTXSID50939179
    • PMUWWDBIGFMHAW-SJORKVTESA-N
    • T-FLAVANONE, (+/-)-
    • DIMETHYLHYDROXYDIHYDROFLAVONE
    • DB-179137
    • DIMETHYLHYDROXY DIHYDROFLAVONE, (+/-)-
    • (2R,3R)-3-hydroxy-3-methyl-2-(4-methylphenyl)-2H-chromen-4-one
    • 3-Hydroxy-3-methyl-2-(4-methylphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
    • (2R,3R)-3-Hydroxy-3-methyl-2-(4-methylphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
    • 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3-HYDROXY-3-METHYL-2-(4-METHYLPHENYL)-, TRANS-
    • 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3-HYDROXY-3-METHYL-2-(4-METHYLPHENYL)-, (2R,3R)-REL-
    • 179125-68-9

  • Applications

    Dimethylhydroxy dihydroflavone (CAS 179125-68-9) is used as an intermediate in organic synthesis, including routes toward pharmaceutical and agrochemical candidates. It is often evaluated as a precursor for fragrance and perfumery applications, supporting the development of aroma compounds. In cosmetics and personal care, it may be explored for antioxidant and stabilizing roles in formulations. In polymer and coatings industries, it can be trialed as a stabilizer or processing aid to improve formulation durability. It can also serve as a research reagent in medicinal chemistry and biochemical research programs. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.91
    methanol 31.3
    isopropanol 17.41
    water 0.07
    ethyl acetate 78.78
    n-propanol 20.94
    acetone 92.09
    n-butanol 23.62
    acetonitrile 55.88
    DMF 136.88
    toluene 66.7
    isobutanol 18.36
    1,4-dioxane 172.13
    methyl acetate 95.65
    THF 262.1
    2-butanone 95.04
    n-pentanol 22.05
    sec-butanol 16.78
    n-hexane 1.13
    ethylene glycol 8.7
    NMP 71.96
    cyclohexane 3.54
    DMSO 93.18
    n-butyl acetate 65.38
    n-octanol 25.7
    chloroform 201.56
    n-propyl acetate 64.09
    acetic acid 50.93
    dichloromethane 174.6
    cyclohexanone 130.57
    propylene glycol 8.89
    isopropyl acetate 68.26
    DMAc 163.13
    2-ethoxyethanol 63.95
    isopentanol 35.44
    n-heptane 2.61
    ethyl formate 51.73
    1,2-dichloroethane 139.09
    n-hexanol 36.06
    2-methoxyethanol 89.81
    isobutyl acetate 54.94
    tetrachloromethane 10.73
    n-pentyl acetate 52.72
    transcutol 315.47
    n-heptanol 28.41
    ethylbenzene 36.11
    MIBK 69.84
    2-propoxyethanol 88.61
    tert-butanol 41.67
    MTBE 48.54
    2-butoxyethanol 66.35
    propionic acid 32.89
    o-xylene 39.76
    formic acid 21.01
    diethyl ether 51.36
    m-xylene 43.19
    p-xylene 45.06
    chlorobenzene 76.66
    dimethyl carbonate 68.93
    n-octane 2.29
    formamide 50.09
    cyclopentanone 142.62
    2-pentanone 75.7
    anisole 86.02
    cyclopentyl methyl ether 69.85
    gamma-butyrolactone 141.88
    1-methoxy-2-propanol 67.8
    pyridine 132.56
    3-pentanone 67.89
    furfural 163.59
    n-dodecane 2.75
    diethylene glycol 76.69
    diisopropyl ether 21.16
    tert-amyl alcohol 32.41
    acetylacetone 138.23
    n-hexadecane 3.3
    acetophenone 87.6
    methyl propionate 64.29
    isopentyl acetate 74.05
    trichloroethylene 283.37
    n-nonanol 27.81
    cyclohexanol 31.31
    benzyl alcohol 58.77
    2-ethylhexanol 29.33
    isooctanol 28.68
    dipropyl ether 34.7
    1,2-dichlorobenzene 77.33
    ethyl lactate 38.15
    propylene carbonate 85.29
    n-methylformamide 54.77
    2-pentanol 19.19
    n-pentane 1.12
    1-propoxy-2-propanol 58.74
    1-methoxy-2-propyl acetate 97.07
    2-(2-methoxypropoxy) propanol 79.18
    mesitylene 26.58
    ε-caprolactone 95.36
    p-cymene 25.48
    epichlorohydrin 217.99
    1,1,1-trichloroethane 84.05
    2-aminoethanol 14.68
    morpholine-4-carbaldehyde 153.97
    sulfolane 131.89
    2,2,4-trimethylpentane 2.67
    2-methyltetrahydrofuran 83.17
    n-hexyl acetate 70.01
    isooctane 2.45
    2-(2-butoxyethoxy)ethanol 106.13
    sec-butyl acetate 54.56
    tert-butyl acetate 79.91
    decalin 4.62
    glycerin 25.05
    diglyme 234.02
    acrylic acid 35.5
    isopropyl myristate 35.88
    n-butyric acid 49.76
    acetyl acetate 79.62
    di(2-ethylhexyl) phthalate 36.17
    ethyl propionate 60.27
    nitromethane 141.09
    1,2-diethoxyethane 105.92
    benzonitrile 85.54
    trioctyl phosphate 24.35
    1-bromopropane 40.93
    gamma-valerolactone 184.16
    n-decanol 21.87
    triethyl phosphate 37.87
    4-methyl-2-pentanol 24.33
    propionitrile 53.04
    vinylene carbonate 97.31
    1,1,2-trichlorotrifluoroethane 108.39
    DMS 83.3
    cumene 24.98
    2-octanol 20.97
    2-hexanone 66.91
    octyl acetate 39.68
    limonene 28.93
    1,2-dimethoxyethane 169.47
    ethyl orthosilicate 35.95
    tributyl phosphate 29.15
    diacetone alcohol 89.97
    N,N-dimethylaniline 52.56
    acrylonitrile 89.2
    aniline 55.45
    1,3-propanediol 31.76
    bromobenzene 80.37
    dibromomethane 91.1
    1,1,2,2-tetrachloroethane 182.93
    2-methyl-cyclohexyl acetate 56.42
    tetrabutyl urea 41.27
    diisobutyl methanol 23.86
    2-phenylethanol 69.02
    styrene 42.55
    dioctyl adipate 51.91
    dimethyl sulfate 80.95
    ethyl butyrate 55.17
    methyl lactate 42.31
    butyl lactate 42.82
    diethyl carbonate 47.17
    propanediol butyl ether 49.71
    triethyl orthoformate 48.15
    p-tert-butyltoluene 23.98
    methyl 4-tert-butylbenzoate 77.43
    morpholine 125.33
    tert-butylamine 21.21
    n-dodecanol 17.42
    dimethoxymethane 140.66
    ethylene carbonate 80.29
    cyrene 81.19
    2-ethoxyethyl acetate 85.99
    2-ethylhexyl acetate 55.84
    1,2,4-trichlorobenzene 84.2
    4-methylpyridine 111.31
    dibutyl ether 38.53
    2,6-dimethyl-4-heptanol 23.86
    DEF 74.71
    dimethyl isosorbide 139.06
    tetrachloroethylene 103.5
    eugenol 75.91
    triacetin 90.38
    span 80 52.47
    1,4-butanediol 14.08
    1,1-dichloroethane 91.19
    2-methyl-1-pentanol 31.19
    methyl formate 66.02
    2-methyl-1-butanol 26.0
    n-decane 4.39
    butyronitrile 45.41
    3,7-dimethyl-1-octanol 31.49
    1-chlorooctane 19.65
    1-chlorotetradecane 9.84
    n-nonane 3.52
    undecane 3.36
    tert-butylcyclohexane 4.78
    cyclooctane 1.9
    cyclopentanol 25.02
    tetrahydropyran 96.06
    tert-amyl methyl ether 37.72
    2,5,8-trioxanonane 156.15
    1-hexene 8.35
    2-isopropoxyethanol 56.42
    2,2,2-trifluoroethanol 27.3
    methyl butyrate 73.44

    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