3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone

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  • Identifiers

    CAS number
    53170-93-7

    Molecular formula
    C9H10O3

    SMILES
    C1=CC(=CC=C1C(=O)CCO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 58.16%
    Vanilla 44.4%
    Phenolic 42.86%
    Balsamic 41.8%
    Fruity 35.21%
    Spicy 31.76%
    Bitter 31.72%
    Burnt 30.94%
    Creamy 30.72%
    Nutty 30.02%

     

    Flavor
    Sweet 46.42%
    Odorless 38.6%
    Mild 38.28%
    Phenolic 30.53%
    Balsam 30.37%
    Bitter 30.31%
    Faint 29.92%
    Powdery 28.54%
    Balsamic 27.18%
    Fruity 26.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    9.0 (weak base)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    378°C

    Melting point expt.

    • 142 - 143 °C

    Flash point

    • 174.46 ˚C est.

  • Synonyms

    • 3-hydroxy-1-(4-hydroxyphenyl)-1-Propanone
    • RefChem:502277
    • 3,4'-Dihydroxypropiophenone
    • 53170-93-7
    • 3-hydroxy-1-(4-hydroxyphenyl)propan-1-one
    • 1-propanone, 3-hydroxy-1-(4-hydroxyphenyl)-
    • MFCD24688528
    • MLS000876963
    • SMR000440608
    • 1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one
    • LA5SG75SZB
    • 2-(p-Hydroxybenzoyl)ethanol
    • 4-(3-Hydroxypropionyl)phenol
    • cid_638759
    • MEGxp0_000182
    • orb1297049
    • SCHEMBL2991010
    • CHEMBL1417159
    • ACon1_000128
    • BDBM50570
    • DTXSID80348598
    • CHEBI:173753
    • HMS2270F23
    • AKOS025243425
    • EBC-617128
    • HY-W268155
    • SB83926
    • 2-(Hydroxyethyl) 4-hydroxyphenyl ketone
    • NCGC00180853-01
    • AS-32302
    • DA-05157
    • SY027114
    • CS-0313492
    • 3-hydroxy-1-(4-hydroxyphenyl) propan-1-one
    • F387346
    • 3,4 inverted exclamation mark -Dihydroxypropiophenone
    • 3,4'-Dihydroxypropiophenone, >=95% (LC/MS-ELSD)
    • BRD-K75509313-001-01-5
    • 3 pound not4 inverted exclamation mark -Dihydroxypropiophenone
    • InChI=1/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H
    • 53170-93-7

  • Applications

    3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone (CAS 53170-93-7) is primarily used as a fragrance and flavor intermediate in industrial chemistry, where its para-hydroxyphenylpropanone scaffold serves as a versatile building block for aroma and flavor derivatives. In perfumery and cosmetics, it is evaluated as a precursor for scent ingredients and may contribute to vanilla- or floral-like notes after functionalization. It can also be used in household products as a fragrance additive. Beyond aroma applications, it is employed in industrial manufacturing as a starting material for further transformations toward dyes, specialty polymers, and other phenylpropanoid-derived intermediates, and it may appear as an intermediate in pharmaceutical synthesis under appropriate regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 138.18
    methanol 276.24
    isopropanol 116.75
    water 9.54
    ethyl acetate 72.32
    n-propanol 86.74
    acetone 216.38
    n-butanol 67.35
    acetonitrile 64.6
    DMF 672.3
    toluene 3.89
    isobutanol 60.37
    1,4-dioxane 163.26
    methyl acetate 95.86
    THF 302.83
    2-butanone 82.15
    n-pentanol 57.66
    sec-butanol 56.92
    n-hexane 0.29
    ethylene glycol 169.16
    NMP 345.64
    cyclohexane 0.3
    DMSO 795.38
    n-butyl acetate 43.73
    n-octanol 31.35
    chloroform 3.78
    n-propyl acetate 52.68
    acetic acid 187.45
    dichloromethane 7.85
    cyclohexanone 94.05
    propylene glycol 147.62
    isopropyl acetate 46.27
    DMAc 417.96
    2-ethoxyethanol 193.14
    isopentanol 71.38
    n-heptane 0.85
    ethyl formate 53.25
    1,2-dichloroethane 11.09
    n-hexanol 43.54
    2-methoxyethanol 344.96
    isobutyl acetate 31.48
    tetrachloromethane 1.22
    n-pentyl acetate 26.22
    transcutol 499.5
    n-heptanol 28.61
    ethylbenzene 4.74
    MIBK 62.2
    2-propoxyethanol 131.68
    tert-butanol 215.82
    MTBE 51.23
    2-butoxyethanol 77.95
    propionic acid 105.78
    o-xylene 7.35
    formic acid 211.22
    diethyl ether 23.1
    m-xylene 8.45
    p-xylene 6.82
    chlorobenzene 6.03
    dimethyl carbonate 60.88
    n-octane 0.57
    formamide 382.34
    cyclopentanone 196.56
    2-pentanone 77.0
    anisole 39.41
    cyclopentyl methyl ether 58.01
    gamma-butyrolactone 281.6
    1-methoxy-2-propanol 228.03
    pyridine 26.85
    3-pentanone 34.19
    furfural 162.27
    n-dodecane 1.05
    diethylene glycol 194.72
    diisopropyl ether 10.24
    tert-amyl alcohol 101.9
    acetylacetone 127.47
    n-hexadecane 1.16
    acetophenone 46.46
    methyl propionate 76.15
    isopentyl acetate 41.57
    trichloroethylene 22.25
    n-nonanol 28.63
    cyclohexanol 37.37
    benzyl alcohol 45.02
    2-ethylhexanol 24.24
    isooctanol 25.49
    dipropyl ether 21.94
    1,2-dichlorobenzene 9.59
    ethyl lactate 54.67
    propylene carbonate 104.42
    n-methylformamide 272.21
    2-pentanol 42.0
    n-pentane 0.22
    1-propoxy-2-propanol 92.36
    1-methoxy-2-propyl acetate 73.86
    2-(2-methoxypropoxy) propanol 101.9
    mesitylene 7.34
    ε-caprolactone 92.9
    p-cymene 8.08
    epichlorohydrin 184.65
    1,1,1-trichloroethane 7.81
    2-aminoethanol 176.21
    morpholine-4-carbaldehyde 297.35
    sulfolane 364.64
    2,2,4-trimethylpentane 1.02
    2-methyltetrahydrofuran 102.25
    n-hexyl acetate 44.95
    isooctane 1.09
    2-(2-butoxyethoxy)ethanol 135.68
    sec-butyl acetate 32.32
    tert-butyl acetate 65.49
    decalin 1.13
    glycerin 250.12
    diglyme 229.6
    acrylic acid 110.51
    isopropyl myristate 20.34
    n-butyric acid 93.0
    acetyl acetate 46.65
    di(2-ethylhexyl) phthalate 25.9
    ethyl propionate 43.77
    nitromethane 382.85
    1,2-diethoxyethane 65.15
    benzonitrile 32.37
    trioctyl phosphate 21.49
    1-bromopropane 3.16
    gamma-valerolactone 240.63
    n-decanol 22.43
    triethyl phosphate 26.83
    4-methyl-2-pentanol 34.21
    propionitrile 36.71
    vinylene carbonate 74.38
    1,1,2-trichlorotrifluoroethane 126.31
    DMS 48.64
    cumene 6.26
    2-octanol 18.69
    2-hexanone 52.75
    octyl acetate 27.51
    limonene 11.07
    1,2-dimethoxyethane 223.48
    ethyl orthosilicate 23.71
    tributyl phosphate 24.3
    diacetone alcohol 142.76
    N,N-dimethylaniline 32.52
    acrylonitrile 63.82
    aniline 19.47
    1,3-propanediol 187.84
    bromobenzene 3.98
    dibromomethane 3.09
    1,1,2,2-tetrachloroethane 18.3
    2-methyl-cyclohexyl acetate 34.83
    tetrabutyl urea 40.1
    diisobutyl methanol 19.16
    2-phenylethanol 37.1
    styrene 5.08
    dioctyl adipate 35.36
    dimethyl sulfate 129.93
    ethyl butyrate 36.15
    methyl lactate 95.38
    butyl lactate 42.29
    diethyl carbonate 28.27
    propanediol butyl ether 99.8
    triethyl orthoformate 29.94
    p-tert-butyltoluene 8.25
    methyl 4-tert-butylbenzoate 56.91
    morpholine 197.75
    tert-butylamine 53.06
    n-dodecanol 17.15
    dimethoxymethane 228.64
    ethylene carbonate 62.86
    cyrene 102.23
    2-ethoxyethyl acetate 51.55
    2-ethylhexyl acetate 27.15
    1,2,4-trichlorobenzene 15.51
    4-methylpyridine 33.76
    dibutyl ether 22.13
    2,6-dimethyl-4-heptanol 19.16
    DEF 109.26
    dimethyl isosorbide 135.45
    tetrachloroethylene 9.37
    eugenol 62.59
    triacetin 64.76
    span 80 68.71
    1,4-butanediol 89.28
    1,1-dichloroethane 6.04
    2-methyl-1-pentanol 48.75
    methyl formate 203.06
    2-methyl-1-butanol 53.63
    n-decane 1.41
    butyronitrile 39.47
    3,7-dimethyl-1-octanol 29.55
    1-chlorooctane 7.66
    1-chlorotetradecane 3.84
    n-nonane 1.08
    undecane 1.2
    tert-butylcyclohexane 1.48
    cyclooctane 0.3
    cyclopentanol 67.33
    tetrahydropyran 47.14
    tert-amyl methyl ether 38.58
    2,5,8-trioxanonane 171.58
    1-hexene 2.09
    2-isopropoxyethanol 117.36
    2,2,2-trifluoroethanol 82.47
    methyl butyrate 59.6

    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