1-(4-Hydroxy-3-methoxyphenyl)propane-1,2-dione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2034-60-8

    Molecular formula
    C10H10O4

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

  • Odor profile

    Fragrance
    Sweet 85.33%
    Vanilla 73.41%
    Creamy 66.37%
    Caramellic 59.9%
    Balsamic 48.38%
    Powdery 47.14%
    Milky 43.19%
    Spicy 42.4%
    Floral 37.57%
    Phenolic 36.13%

     

    Flavor
    Sweet 51.57%
    Creamy 36.62%
    Caramel 34.4%
    Powdery 30.8%
    Vanilla 29.19%
    Faint 27.32%
    Odorless 27.07%
    Bitter 25.39%
    Dry 23.47%
    Phenolic 23.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.11 (weak base)

    Molecular weight
    194.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Flash point

    • 141.56 ˚C est.

  • Synonyms

    • 2034-60-8
    • Vanilloylacetyl
    • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro- 1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1alpha,7(2R*,3R*),7aal pha]]-
    • 1-(4-hydroxy-3-methoxyphenyl)propane-1,2-dione
    • Vanilloyl methyl ketone
    • Propioguaiacone, .alpha.-oxy
    • SCHEMBL310113
    • BCUDLMOGCPZQHY-UHFFFAOYSA-N
    • DTXSID001313630

  • Applications

    1-(4-Hydroxy-3-methoxyphenyl)propane-1,2-dione (CAS 2034-60-8) is a versatile aryl-1,2-diketone that mainly serves as a synthetic intermediate, enabling routes to heterocycles and substituted aromatics used in pharmaceuticals and agrochemicals. It is commonly evaluated as a fragrance and flavor intermediate, acting as a precursor to aroma compounds in perfumery and flavor chemistry. In the dyes and pigments sector, it can function as a building block for dye formulations and pigment precursors for coatings and inks. In polymer and materials chemistry, it offers potential as a functional monomer or crosslinking component for specialty polymers and optical/electronic materials. It is also used in research and process development as a general aryl-diketone building block for multi-step synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.86
    methanol 76.28
    isopropanol 40.72
    water 2.36
    ethyl acetate 74.41
    n-propanol 42.36
    acetone 168.09
    n-butanol 31.48
    acetonitrile 66.22
    DMF 737.09
    toluene 13.39
    isobutanol 25.7
    1,4-dioxane 132.38
    methyl acetate 102.68
    THF 283.37
    2-butanone 107.75
    n-pentanol 26.53
    sec-butanol 41.49
    n-hexane 1.69
    ethylene glycol 53.8
    NMP 526.99
    cyclohexane 1.83
    DMSO 778.16
    n-butyl acetate 44.14
    n-octanol 10.22
    chloroform 65.0
    n-propyl acetate 53.19
    acetic acid 138.43
    dichloromethane 105.58
    cyclohexanone 111.99
    propylene glycol 33.26
    isopropyl acetate 48.26
    DMAc 464.15
    2-ethoxyethanol 145.0
    isopentanol 33.05
    n-heptane 1.24
    ethyl formate 57.53
    1,2-dichloroethane 105.68
    n-hexanol 23.98
    2-methoxyethanol 221.66
    isobutyl acetate 21.8
    tetrachloromethane 12.52
    n-pentyl acetate 22.55
    transcutol 314.68
    n-heptanol 12.65
    ethylbenzene 15.7
    MIBK 47.14
    2-propoxyethanol 91.43
    tert-butanol 88.61
    MTBE 71.38
    2-butoxyethanol 43.42
    propionic acid 72.85
    o-xylene 20.24
    formic acid 186.24
    diethyl ether 64.8
    m-xylene 13.99
    p-xylene 16.63
    chlorobenzene 27.79
    dimethyl carbonate 101.58
    n-octane 0.54
    formamide 477.1
    cyclopentanone 212.77
    2-pentanone 75.55
    anisole 89.09
    cyclopentyl methyl ether 85.18
    gamma-butyrolactone 308.62
    1-methoxy-2-propanol 143.31
    pyridine 93.86
    3-pentanone 70.91
    furfural 273.75
    n-dodecane 0.5
    diethylene glycol 118.15
    diisopropyl ether 16.86
    tert-amyl alcohol 82.01
    acetylacetone 133.5
    n-hexadecane 0.58
    acetophenone 96.14
    methyl propionate 106.54
    isopentyl acetate 39.25
    trichloroethylene 191.63
    n-nonanol 10.23
    cyclohexanol 30.76
    benzyl alcohol 62.53
    2-ethylhexanol 16.47
    isooctanol 11.27
    dipropyl ether 23.91
    1,2-dichlorobenzene 41.87
    ethyl lactate 49.53
    propylene carbonate 111.61
    n-methylformamide 270.92
    2-pentanol 27.46
    n-pentane 1.64
    1-propoxy-2-propanol 57.03
    1-methoxy-2-propyl acetate 81.62
    2-(2-methoxypropoxy) propanol 73.78
    mesitylene 10.17
    ε-caprolactone 112.8
    p-cymene 11.18
    epichlorohydrin 299.14
    1,1,1-trichloroethane 44.95
    2-aminoethanol 62.86
    morpholine-4-carbaldehyde 377.1
    sulfolane 453.28
    2,2,4-trimethylpentane 2.39
    2-methyltetrahydrofuran 137.23
    n-hexyl acetate 32.04
    isooctane 1.25
    2-(2-butoxyethoxy)ethanol 80.35
    sec-butyl acetate 34.85
    tert-butyl acetate 76.44
    decalin 2.54
    glycerin 99.34
    diglyme 193.01
    acrylic acid 106.33
    isopropyl myristate 13.55
    n-butyric acid 54.96
    acetyl acetate 60.44
    di(2-ethylhexyl) phthalate 18.62
    ethyl propionate 59.46
    nitromethane 443.32
    1,2-diethoxyethane 62.3
    benzonitrile 45.42
    trioctyl phosphate 12.27
    1-bromopropane 28.72
    gamma-valerolactone 271.53
    n-decanol 7.4
    triethyl phosphate 35.02
    4-methyl-2-pentanol 18.76
    propionitrile 45.85
    vinylene carbonate 102.42
    1,1,2-trichlorotrifluoroethane 225.58
    DMS 72.23
    cumene 12.2
    2-octanol 7.95
    2-hexanone 49.17
    octyl acetate 17.18
    limonene 15.37
    1,2-dimethoxyethane 209.6
    ethyl orthosilicate 29.29
    tributyl phosphate 18.16
    diacetone alcohol 107.67
    N,N-dimethylaniline 62.99
    acrylonitrile 90.84
    aniline 47.76
    1,3-propanediol 68.55
    bromobenzene 19.76
    dibromomethane 50.27
    1,1,2,2-tetrachloroethane 130.14
    2-methyl-cyclohexyl acetate 38.76
    tetrabutyl urea 26.84
    diisobutyl methanol 12.06
    2-phenylethanol 45.84
    styrene 20.21
    dioctyl adipate 29.6
    dimethyl sulfate 238.78
    ethyl butyrate 41.02
    methyl lactate 84.44
    butyl lactate 28.24
    diethyl carbonate 36.14
    propanediol butyl ether 43.85
    triethyl orthoformate 35.5
    p-tert-butyltoluene 10.99
    methyl 4-tert-butylbenzoate 58.35
    morpholine 187.0
    tert-butylamine 38.45
    n-dodecanol 5.35
    dimethoxymethane 276.31
    ethylene carbonate 72.58
    cyrene 104.01
    2-ethoxyethyl acetate 53.04
    2-ethylhexyl acetate 29.46
    1,2,4-trichlorobenzene 58.8
    4-methylpyridine 90.56
    dibutyl ether 14.62
    2,6-dimethyl-4-heptanol 12.06
    DEF 162.87
    dimethyl isosorbide 137.83
    tetrachloroethylene 96.66
    eugenol 58.71
    triacetin 65.33
    span 80 40.15
    1,4-butanediol 33.07
    1,1-dichloroethane 46.25
    2-methyl-1-pentanol 29.1
    methyl formate 200.24
    2-methyl-1-butanol 30.92
    n-decane 0.86
    butyronitrile 29.89
    3,7-dimethyl-1-octanol 13.36
    1-chlorooctane 5.44
    1-chlorotetradecane 2.19
    n-nonane 0.74
    undecane 0.64
    tert-butylcyclohexane 2.37
    cyclooctane 0.87
    cyclopentanol 47.3
    tetrahydropyran 72.6
    tert-amyl methyl ether 63.85
    2,5,8-trioxanonane 131.22
    1-hexene 8.49
    2-isopropoxyethanol 77.77
    2,2,2-trifluoroethanol 112.44
    methyl butyrate 71.62

    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