1,3-Diphenyl-2-propanone

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  • Identifiers

    CAS number
    102-04-5

    Molecular formula
    C15H14O

    SMILES
    C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 82.52%
    Sweet 82.49%
    Honey 72.79%
    Fruity 70.82%
    Rose 69.82%
    Balsamic 54.69%
    Powdery 49.18%
    Spicy 40.52%
    Hyacinth 36.43%
    Almond 34.78%

     

    Flavor
    Sweet 76.26%
    Floral 64.22%
    Honey 62.38%
    Rose 55.13%
    Waxy 46.97%
    Balsam 44.24%
    Green 41.41%
    Chocolate 39.11%
    Hyacinth 36.53%
    Fruity 35.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.45 (neutral)

    Molecular weight
    210.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 35 - 36 °C

    Boiling point

    • 330.00 to 331.00 °C. @ 760.00 mm Hg

    Flash point

    • 155.55 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • very soluble (in ethanol)

  • Synonyms

    • 1,3-Diphenylacetone
    • 102-04-5
    • 1,3-diphenylpropan-2-one
    • 1,3-Diphenyl-2-propanone
    • DIBENZYL KETONE
    • 2-Propanone, 1,3-diphenyl-
    • Benzyl ketone
    • 1,3-Diphenylpropanone
    • alpha,alpha'-Diphenylacetone
    • FEMA No. 2397
    • MFCD00004795
    • 1,3-Diphenyl-propan-2-one
    • NSC 220312
    • EINECS 203-000-0
    • 9Y07G5UDKQ
    • AI3-05001
    • .alpha.,.alpha.'-Diphenylacetone
    • NSC-220312
    • DTXSID5059244
    • 1,3-DIPHENYL-2-PROPANONE [FHFI]
    • 2-Propanone,3-diphenyl-
    • UNII-9Y07G5UDKQ
    • dibenzylketone
    • 1,3diphenylacetone
    • 1,3Diphenylpropanone
    • 1,3 diphenyl acetone
    • 1,3-propan-2-one
    • 2Propanone, 1,3diphenyl
    • alpha,alpha'Diphenylacetone
    • propanone, 1,3-diphenyl-
    • SCHEMBL77563
    • CHEMBL4083314
    • DTXCID3032672
    • FEMA 2397
    • NSC4577
    • CHEBI:174059
    • 1,3-Diphenyl-2-propanone, 99%
    • NSC-4577
    • NSC220312
    • NSC407392
    • AKOS000120284
    • CS-W015104
    • FD07366
    • NSC-407392
    • AS-11950
    • SY010646
    • 1,3-Diphenyl-2-propanone, >=98%, FG
    • D0911
    • NS00018666
    • EN300-20394
    • D70874
    • Q5272265
    • 1,3-Diphenyl-2-propanone, purum, >=98.0% (GC)
    • F0001-0066
    • 203-000-0

  • Applications

    1,3-Diphenyl-2-propanone (CAS 102-04-5) is a versatile building block in organic synthesis, commonly used as an intermediate in fragrance chemistry and in the development of pharmaceutical compounds. It also serves in polymer and plastics applications as a precursor to functional ketones and as a building block for specialty resin systems, and it appears in coatings and inks formulation as a reactive intermediate. In broader industrial manufacturing, it is regarded as a versatile aryl ketone intermediate, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.63
    methanol 36.31
    isopropanol 15.49
    water 0.24
    ethyl acetate 123.13
    n-propanol 25.1
    acetone 192.08
    n-butanol 20.5
    acetonitrile 88.66
    DMF 400.39
    toluene 34.92
    isobutanol 15.28
    1,4-dioxane 268.14
    methyl acetate 123.54
    THF 387.49
    2-butanone 125.7
    n-pentanol 19.95
    sec-butanol 13.88
    n-hexane 7.65
    ethylene glycol 17.03
    NMP 250.59
    cyclohexane 9.92
    DMSO 291.26
    n-butyl acetate 83.04
    n-octanol 12.7
    chloroform 450.04
    n-propyl acetate 77.59
    acetic acid 87.13
    dichloromethane 368.61
    cyclohexanone 202.03
    propylene glycol 22.79
    isopropyl acetate 68.49
    DMAc 338.54
    2-ethoxyethanol 59.41
    isopentanol 20.35
    n-heptane 8.77
    ethyl formate 80.16
    1,2-dichloroethane 303.3
    n-hexanol 29.77
    2-methoxyethanol 90.16
    isobutyl acetate 55.44
    tetrachloromethane 21.08
    n-pentyl acetate 35.14
    transcutol 337.91
    n-heptanol 14.77
    ethylbenzene 38.1
    MIBK 62.93
    2-propoxyethanol 81.21
    tert-butanol 25.91
    MTBE 33.8
    2-butoxyethanol 43.98
    propionic acid 63.27
    o-xylene 29.59
    formic acid 23.96
    diethyl ether 59.66
    m-xylene 26.86
    p-xylene 43.76
    chlorobenzene 94.72
    dimethyl carbonate 95.84
    n-octane 3.42
    formamide 56.78
    cyclopentanone 306.64
    2-pentanone 94.76
    anisole 112.27
    cyclopentyl methyl ether 93.7
    gamma-butyrolactone 333.88
    1-methoxy-2-propanol 71.24
    pyridine 196.38
    3-pentanone 97.54
    furfural 267.53
    n-dodecane 3.24
    diethylene glycol 72.73
    diisopropyl ether 20.51
    tert-amyl alcohol 18.95
    acetylacetone 191.89
    n-hexadecane 3.75
    acetophenone 106.47
    methyl propionate 113.67
    isopentyl acetate 73.04
    trichloroethylene 500.51
    n-nonanol 14.47
    cyclohexanol 23.91
    benzyl alcohol 54.0
    2-ethylhexanol 28.55
    isooctanol 14.99
    dipropyl ether 69.36
    1,2-dichlorobenzene 112.2
    ethyl lactate 51.45
    propylene carbonate 181.65
    n-methylformamide 105.95
    2-pentanol 13.17
    n-pentane 3.0
    1-propoxy-2-propanol 61.98
    1-methoxy-2-propyl acetate 108.69
    2-(2-methoxypropoxy) propanol 77.1
    mesitylene 21.07
    ε-caprolactone 147.57
    p-cymene 25.7
    epichlorohydrin 348.17
    1,1,1-trichloroethane 156.37
    2-aminoethanol 27.22
    morpholine-4-carbaldehyde 247.0
    sulfolane 323.61
    2,2,4-trimethylpentane 3.4
    2-methyltetrahydrofuran 129.98
    n-hexyl acetate 49.73
    isooctane 2.66
    2-(2-butoxyethoxy)ethanol 89.69
    sec-butyl acetate 54.7
    tert-butyl acetate 73.93
    decalin 11.07
    glycerin 41.28
    diglyme 208.65
    acrylic acid 74.36
    isopropyl myristate 29.9
    n-butyric acid 72.92
    acetyl acetate 118.27
    di(2-ethylhexyl) phthalate 31.83
    ethyl propionate 90.51
    nitromethane 276.23
    1,2-diethoxyethane 105.15
    benzonitrile 84.56
    trioctyl phosphate 18.89
    1-bromopropane 80.14
    gamma-valerolactone 306.16
    n-decanol 12.5
    triethyl phosphate 55.41
    4-methyl-2-pentanol 14.89
    propionitrile 65.57
    vinylene carbonate 173.75
    1,1,2-trichlorotrifluoroethane 192.02
    DMS 104.0
    cumene 28.56
    2-octanol 8.9
    2-hexanone 72.56
    octyl acetate 32.68
    limonene 35.32
    1,2-dimethoxyethane 177.26
    ethyl orthosilicate 46.83
    tributyl phosphate 28.41
    diacetone alcohol 77.62
    N,N-dimethylaniline 74.0
    acrylonitrile 110.62
    aniline 46.89
    1,3-propanediol 30.84
    bromobenzene 97.26
    dibromomethane 205.24
    1,1,2,2-tetrachloroethane 410.26
    2-methyl-cyclohexyl acetate 70.13
    tetrabutyl urea 39.43
    diisobutyl methanol 23.74
    2-phenylethanol 51.91
    styrene 49.24
    dioctyl adipate 56.34
    dimethyl sulfate 154.88
    ethyl butyrate 90.48
    methyl lactate 68.84
    butyl lactate 39.7
    diethyl carbonate 78.1
    propanediol butyl ether 36.67
    triethyl orthoformate 65.84
    p-tert-butyltoluene 24.63
    methyl 4-tert-butylbenzoate 81.33
    morpholine 189.14
    tert-butylamine 17.05
    n-dodecanol 11.28
    dimethoxymethane 176.51
    ethylene carbonate 138.76
    cyrene 85.88
    2-ethoxyethyl acetate 70.19
    2-ethylhexyl acetate 59.24
    1,2,4-trichlorobenzene 125.93
    4-methylpyridine 117.65
    dibutyl ether 40.95
    2,6-dimethyl-4-heptanol 23.74
    DEF 122.94
    dimethyl isosorbide 158.02
    tetrachloroethylene 191.55
    eugenol 69.87
    triacetin 90.62
    span 80 54.62
    1,4-butanediol 15.55
    1,1-dichloroethane 164.38
    2-methyl-1-pentanol 22.74
    methyl formate 109.74
    2-methyl-1-butanol 16.58
    n-decane 4.83
    butyronitrile 54.96
    3,7-dimethyl-1-octanol 21.34
    1-chlorooctane 18.82
    1-chlorotetradecane 10.07
    n-nonane 4.33
    undecane 3.79
    tert-butylcyclohexane 9.3
    cyclooctane 3.66
    cyclopentanol 35.95
    tetrahydropyran 140.36
    tert-amyl methyl ether 32.85
    2,5,8-trioxanonane 148.98
    1-hexene 25.89
    2-isopropoxyethanol 44.83
    2,2,2-trifluoroethanol 43.74
    methyl butyrate 110.2

    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