1-(3,4-Dihydroxyphenyl)-2-propanone

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  • Identifiers

    CAS number
    2503-44-8

    Molecular formula
    C9H10O3

    SMILES
    CC(=O)CC1=CC(=C(C=C1)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 58.06%
    Phenolic 55.56%
    Sweet 53.24%
    Spicy 51.28%
    Balsamic 43.03%
    Woody 41.48%
    Burnt 41.43%
    Creamy 38.61%
    Fruity 36.71%
    Caramellic 36.67%

     

    Flavor
    Sweet 77.56%
    Phenolic 46.93%
    Woody 42.2%
    Spicy 41.15%
    Powdery 35.98%
    Vanilla 34.91%
    Mild 32.64%
    Clove 31.82%
    Smoky 30.61%
    Fruity 30.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    10.36 (weak base)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 158.01 ˚C est.

  • Synonyms

    • 1-(3,4-dihydroxyphenyl)propan-2-one
    • 2503-44-8
    • 3,4-DIHYDROXYPHENYLACETONE
    • 1-(3,4-Dihydroxyphenyl)-2-propanone
    • 2-Propanone, 1-(3,4-dihydroxyphenyl)-
    • 4161KA24ZB
    • DTXSID90179739
    • dhp-acetone
    • RefChem:486241
    • DTXCID00102230
    • 803-414-7
    • 3',4'-Dihydroxyphenylacetone
    • MFCD03093024
    • 1-(3',4'-Dihydroxyphenyl)-2-propanone
    • Carbidopa EP Impurity G
    • 3,,4,-Dihydroxyphenylacetone
    • UNII-4161KA24ZB
    • Levodopa Impurity 5
    • SCHEMBL1070431
    • CHEMBL3638320
    • 3,4-dihydroxyphenyl-2-propanone
    • CHEBI:173748
    • JQXBETDGCMQLMK-UHFFFAOYSA-N
    • 3,4-dihydroxyphenylacetone, 95%
    • AKOS006279722
    • FD22123
    • AS-63086
    • PD043798
    • SY335918
    • 1-[3,4-bis(oxidanyl)phenyl]propan-2-one
    • CARBIDOPA IMPURITY G [EP IMPURITY]
    • CS-0047271
    • NS00018385
    • W16241
    • EN300-1599524
    • A845437
    • Q27258404
    • 2503-44-8

  • Applications

    1-(3,4-Dihydroxyphenyl)-2-propanone (CAS 2503-44-8) is used primarily as an intermediate in fragrance chemistry, serving as a building block for catechol-containing aroma compounds and related flavor and perfume materials. It is also explored as a precursor for polymer-related applications, where its catechol moiety can contribute antioxidant and stabilizing properties in plastics, coatings, and inks. Additionally, it can be employed in the synthesis of dyes and pigment intermediates, and in cosmetic formulations as a fragrance precursor or colorant framework, subject to formulation limits and regulation. Other industrial uses include serving as a general synthetic intermediate in specialty chemicals and research settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 373.85
    methanol 566.72
    isopropanol 282.81
    water 22.4
    ethyl acetate 72.13
    n-propanol 206.16
    acetone 302.34
    n-butanol 152.39
    acetonitrile 88.3
    DMF 525.01
    toluene 5.7
    isobutanol 123.13
    1,4-dioxane 140.91
    methyl acetate 105.02
    THF 377.88
    2-butanone 135.2
    n-pentanol 99.71
    sec-butanol 172.8
    n-hexane 1.93
    ethylene glycol 253.16
    NMP 330.14
    cyclohexane 0.97
    DMSO 732.5
    n-butyl acetate 46.33
    n-octanol 43.12
    chloroform 6.83
    n-propyl acetate 56.96
    acetic acid 217.42
    dichloromethane 9.87
    cyclohexanone 99.03
    propylene glycol 210.05
    isopropyl acetate 45.7
    DMAc 389.48
    2-ethoxyethanol 262.5
    isopentanol 127.86
    n-heptane 2.48
    ethyl formate 64.67
    1,2-dichloroethane 14.47
    n-hexanol 78.57
    2-methoxyethanol 436.84
    isobutyl acetate 25.24
    tetrachloromethane 4.19
    n-pentyl acetate 28.87
    transcutol 464.75
    n-heptanol 36.59
    ethylbenzene 7.95
    MIBK 68.8
    2-propoxyethanol 163.6
    tert-butanol 353.21
    MTBE 96.69
    2-butoxyethanol 82.65
    propionic acid 147.23
    o-xylene 10.81
    formic acid 309.16
    diethyl ether 60.96
    m-xylene 11.13
    p-xylene 9.04
    chlorobenzene 8.11
    dimethyl carbonate 57.3
    n-octane 1.03
    formamide 450.51
    cyclopentanone 195.58
    2-pentanone 101.39
    anisole 51.92
    cyclopentyl methyl ether 86.15
    gamma-butyrolactone 233.95
    1-methoxy-2-propanol 293.5
    pyridine 35.27
    3-pentanone 53.1
    furfural 150.35
    n-dodecane 1.06
    diethylene glycol 226.8
    diisopropyl ether 18.71
    tert-amyl alcohol 231.96
    acetylacetone 114.41
    n-hexadecane 1.16
    acetophenone 53.67
    methyl propionate 81.85
    isopentyl acetate 43.53
    trichloroethylene 25.31
    n-nonanol 35.6
    cyclohexanol 65.47
    benzyl alcohol 52.61
    2-ethylhexanol 36.32
    isooctanol 29.45
    dipropyl ether 30.46
    1,2-dichlorobenzene 11.98
    ethyl lactate 59.54
    propylene carbonate 95.49
    n-methylformamide 280.51
    2-pentanol 97.63
    n-pentane 1.85
    1-propoxy-2-propanol 108.92
    1-methoxy-2-propyl acetate 72.94
    2-(2-methoxypropoxy) propanol 104.66
    mesitylene 8.18
    ε-caprolactone 94.24
    p-cymene 10.17
    epichlorohydrin 168.99
    1,1,1-trichloroethane 11.94
    2-aminoethanol 283.15
    morpholine-4-carbaldehyde 259.34
    sulfolane 297.7
    2,2,4-trimethylpentane 2.71
    2-methyltetrahydrofuran 163.07
    n-hexyl acetate 51.83
    isooctane 2.24
    2-(2-butoxyethoxy)ethanol 138.69
    sec-butyl acetate 33.57
    tert-butyl acetate 68.53
    decalin 1.95
    glycerin 292.36
    diglyme 220.45
    acrylic acid 144.82
    isopropyl myristate 20.05
    n-butyric acid 101.31
    acetyl acetate 40.48
    di(2-ethylhexyl) phthalate 26.79
    ethyl propionate 49.43
    nitromethane 341.49
    1,2-diethoxyethane 66.59
    benzonitrile 31.8
    trioctyl phosphate 21.11
    1-bromopropane 7.16
    gamma-valerolactone 195.34
    n-decanol 25.77
    triethyl phosphate 28.38
    4-methyl-2-pentanol 52.48
    propionitrile 51.83
    vinylene carbonate 67.98
    1,1,2-trichlorotrifluoroethane 136.71
    DMS 46.77
    cumene 8.62
    2-octanol 24.2
    2-hexanone 66.0
    octyl acetate 28.07
    limonene 14.61
    1,2-dimethoxyethane 258.25
    ethyl orthosilicate 25.54
    tributyl phosphate 25.49
    diacetone alcohol 152.37
    N,N-dimethylaniline 39.96
    acrylonitrile 74.16
    aniline 27.22
    1,3-propanediol 268.07
    bromobenzene 4.76
    dibromomethane 5.78
    1,1,2,2-tetrachloroethane 21.75
    2-methyl-cyclohexyl acetate 37.33
    tetrabutyl urea 37.25
    diisobutyl methanol 22.81
    2-phenylethanol 47.17
    styrene 7.47
    dioctyl adipate 34.45
    dimethyl sulfate 114.98
    ethyl butyrate 39.21
    methyl lactate 91.64
    butyl lactate 43.44
    diethyl carbonate 29.73
    propanediol butyl ether 113.88
    triethyl orthoformate 31.83
    p-tert-butyltoluene 10.39
    methyl 4-tert-butylbenzoate 58.53
    morpholine 215.93
    tert-butylamine 114.19
    n-dodecanol 17.93
    dimethoxymethane 226.16
    ethylene carbonate 56.84
    cyrene 108.01
    2-ethoxyethyl acetate 51.59
    2-ethylhexyl acetate 29.38
    1,2,4-trichlorobenzene 17.76
    4-methylpyridine 39.16
    dibutyl ether 24.88
    2,6-dimethyl-4-heptanol 22.81
    DEF 104.71
    dimethyl isosorbide 134.66
    tetrachloroethylene 17.37
    eugenol 62.49
    triacetin 64.64
    span 80 69.42
    1,4-butanediol 130.5
    1,1-dichloroethane 9.02
    2-methyl-1-pentanol 78.27
    methyl formate 193.49
    2-methyl-1-butanol 112.04
    n-decane 1.83
    butyronitrile 47.83
    3,7-dimethyl-1-octanol 39.92
    1-chlorooctane 9.52
    1-chlorotetradecane 3.53
    n-nonane 1.63
    undecane 1.37
    tert-butylcyclohexane 2.64
    cyclooctane 0.7
    cyclopentanol 104.52
    tetrahydropyran 77.69
    tert-amyl methyl ether 74.45
    2,5,8-trioxanonane 153.45
    1-hexene 8.95
    2-isopropoxyethanol 147.5
    2,2,2-trifluoroethanol 101.25
    methyl butyrate 68.18

    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