Propiophenone

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  • Identifiers

    CAS number
    93-55-0

    Molecular formula
    C9H10O

    SMILES
    CCC(=O)C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 73.57%
    Fruity 71.98%
    Sweet 53.7%
    Cherry 51.2%
    Herbal 45.3%
    Balsamic 42.62%
    Anisic 38.67%
    Hay 38.05%
    Hawthorn 37.53%
    Almond 37.37%

     

    Flavor
    Balsam 43.63%
    Sweet 36.23%
    Almond 31.26%
    Honey 30.31%
    Hawthorn 30.27%
    Floral 28.65%
    Cinnamon 26.44%
    Lilac 26.41%
    Cherry 26.24%
    Nutty 24.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.67 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 21 °C
    • CONGEALING TEMP: 17.5-21 °C
    • 19 - 20 °C

    Boiling point

    • 218.0 °C @ 760 MM HG

    Flash point

    • 78.92 ˚C est.

    Solubility expt.

    • MISCIBLE WITH METHANOL, ANHYD ETHANOL, ETHER, BENZENE, TOLUENE; INSOL IN WATER, GLYCEROL, ETHYLENE & PROPYLENE GLYCOL
    • Solubility in water = 0.2 wt% at 20 °C.
    • 2 mg/mL at 20 °C
    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Propiophenone
    • 93-55-0
    • 1-phenylpropan-1-one
    • Ethyl phenyl ketone
    • Propionylbenzene
    • PHENYL ETHYL KETONE
    • 1-Phenyl-1-propanone
    • 1-Propanone, 1-phenyl-
    • Ketone, ethyl phenyl
    • Propionphenone
    • 1-Phenyl-propan-1-one
    • USAF EK-1235
    • 2-methyl-acetophenone
    • Benzoylethane
    • FEMA No. 3469
    • HSDB 1177
    • 1-phenylpropanone
    • UNII-E599A8OKQH
    • EINECS 202-257-6
    • NSC 16937
    • PROPIO-D5-PHENONE
    • BRN 0606215
    • DTXSID2044470
    • PROPIO-2,2-D2-PHENONE
    • AI3-00951
    • FEMA 3469
    • CHEBI:425902
    • NSC-16937
    • PROPIOPHENONE [MI]
    • PROPIOPHENONE [FHFI]
    • E599A8OKQH
    • PROPIOPHENONE [WHO-DD]
    • DTXCID0024470
    • EC 202-257-6
    • PHENYL ETHYL KETONE [HSDB]
    • 4-07-00-00680 (Beilstein Handbook Reference)
    • Propiophenone-d5
    • 342610-99-5
    • 2-Methyl acetophenone
    • propiophenon
    • phenylethylketone
    • 1Phenyl1propanone
    • 3szb
    • methyl-acetophenone
    • MFCD00009309
    • 1Propanone, 1phenyl
    • Propiophenone, 99%
    • Propiophenone, >=99%
    • WLN: 2VR
    • 1-PHENYLPROPANONE-1
    • SCHEMBL76464
    • CHEMBL193446
    • Propiophenone, analytical standard
    • ECA41923
    • EFA84887
    • NLA40096
    • NSC16937
    • SNA61099
    • Tox21_302025
    • BBL027754
    • STL282500
    • AKOS000119030
    • CAS-93-55-0
    • NCGC00255954-01
    • Propiophenone, purum, >=99.0% (GC)
    • FP167274
    • VS-08588
    • 1-PROPANONE,1-PHENYL PROPIOPHENONE
    • NS00009925
    • P0519
    • 1-PROPANONE,1-PHENYL PROPIOPHENONE
    • EN300-19183
    • Propiophenone, Vetec(TM) reagent grade, 99%
    • Q415446
    • F0001-2238
    • Z104473068
    • 202-257-6

  • Applications

    Propiophenone, CAS 93-55-0, is primarily used as an intermediate in the synthesis of pharmaceuticals and specialty organic chemicals; in fragrance and perfumery it serves as an odor-active ingredient and can function as a fixative; it acts as a building block for aromatic compounds and for certain polymer or plastics materials; it is also used as a solvent or reaction component in various industrial manufacturing processes; and it may serve as an intermediate in agrochemical or other industrial syntheses, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1368.98
    methanol 1479.27
    isopropanol 1031.52
    water 14.44
    ethyl acetate 1731.72
    n-propanol 1027.83
    acetone 2478.98
    n-butanol 1003.14
    acetonitrile 3434.6
    DMF 3292.91
    toluene 1032.88
    isobutanol 832.21
    1,4-dioxane 2373.9
    methyl acetate 1951.32
    THF 1598.4
    2-butanone 1880.79
    n-pentanol 747.32
    sec-butanol 887.3
    n-hexane 299.46
    ethylene glycol 318.13
    NMP 2352.4
    cyclohexane 434.73
    DMSO 2340.37
    n-butyl acetate 1699.81
    n-octanol 930.39
    chloroform 7417.33
    n-propyl acetate 1470.96
    acetic acid 1376.3
    dichloromethane 9264.59
    cyclohexanone 2772.41
    propylene glycol 265.18
    isopropyl acetate 831.75
    DMAc 2037.51
    2-ethoxyethanol 936.15
    isopentanol 778.34
    n-heptane 309.39
    ethyl formate 1934.95
    1,2-dichloroethane 4596.31
    n-hexanol 879.42
    2-methoxyethanol 1340.27
    isobutyl acetate 741.05
    tetrachloromethane 1368.53
    n-pentyl acetate 1124.93
    transcutol 2822.83
    n-heptanol 615.01
    ethylbenzene 808.98
    MIBK 764.59
    2-propoxyethanol 1067.93
    tert-butanol 978.21
    MTBE 851.57
    2-butoxyethanol 844.02
    propionic acid 1291.56
    o-xylene 711.32
    formic acid 442.33
    diethyl ether 1263.75
    m-xylene 679.03
    p-xylene 1057.71
    chlorobenzene 2187.72
    dimethyl carbonate 830.92
    n-octane 187.46
    formamide 1148.73
    cyclopentanone 2517.39
    2-pentanone 1512.09
    anisole 1353.64
    cyclopentyl methyl ether 962.25
    gamma-butyrolactone 3075.14
    1-methoxy-2-propanol 858.59
    pyridine 2977.0
    3-pentanone 1269.36
    furfural 2731.18
    n-dodecane 147.12
    diethylene glycol 692.78
    diisopropyl ether 391.62
    tert-amyl alcohol 813.37
    acetylacetone 1458.41
    n-hexadecane 170.64
    acetophenone 1340.39
    methyl propionate 1402.66
    isopentyl acetate 1150.6
    trichloroethylene 7935.8
    n-nonanol 701.72
    cyclohexanol 888.63
    benzyl alcohol 885.52
    2-ethylhexanol 651.73
    isooctanol 465.9
    dipropyl ether 950.15
    1,2-dichlorobenzene 2095.52
    ethyl lactate 554.11
    propylene carbonate 1885.56
    n-methylformamide 2125.53
    2-pentanol 678.76
    n-pentane 253.83
    1-propoxy-2-propanol 832.77
    1-methoxy-2-propyl acetate 905.61
    2-(2-methoxypropoxy) propanol 710.29
    mesitylene 491.21
    ε-caprolactone 2172.61
    p-cymene 501.96
    epichlorohydrin 3141.09
    1,1,1-trichloroethane 3625.36
    2-aminoethanol 550.94
    morpholine-4-carbaldehyde 2277.48
    sulfolane 2770.73
    2,2,4-trimethylpentane 121.94
    2-methyltetrahydrofuran 1455.77
    n-hexyl acetate 1632.61
    isooctane 102.32
    2-(2-butoxyethoxy)ethanol 999.39
    sec-butyl acetate 729.22
    tert-butyl acetate 753.0
    decalin 227.97
    glycerin 349.63
    diglyme 2155.3
    acrylic acid 1198.09
    isopropyl myristate 570.02
    n-butyric acid 1549.04
    acetyl acetate 965.92
    di(2-ethylhexyl) phthalate 377.7
    ethyl propionate 1194.82
    nitromethane 3318.95
    1,2-diethoxyethane 1424.87
    benzonitrile 2169.57
    trioctyl phosphate 331.27
    1-bromopropane 2111.15
    gamma-valerolactone 2657.78
    n-decanol 504.24
    triethyl phosphate 494.02
    4-methyl-2-pentanol 330.7
    propionitrile 2248.59
    vinylene carbonate 2220.56
    1,1,2-trichlorotrifluoroethane 1657.27
    DMS 1036.47
    cumene 540.07
    2-octanol 547.82
    2-hexanone 1316.15
    octyl acetate 739.74
    limonene 650.89
    1,2-dimethoxyethane 2060.08
    ethyl orthosilicate 440.65
    tributyl phosphate 449.17
    diacetone alcohol 710.62
    N,N-dimethylaniline 879.16
    acrylonitrile 3096.23
    aniline 1039.26
    1,3-propanediol 780.42
    bromobenzene 2594.88
    dibromomethane 5538.24
    1,1,2,2-tetrachloroethane 4778.84
    2-methyl-cyclohexyl acetate 701.64
    tetrabutyl urea 628.91
    diisobutyl methanol 366.54
    2-phenylethanol 797.02
    styrene 1198.44
    dioctyl adipate 713.89
    dimethyl sulfate 1058.96
    ethyl butyrate 1365.3
    methyl lactate 561.62
    butyl lactate 687.22
    diethyl carbonate 998.27
    propanediol butyl ether 761.18
    triethyl orthoformate 706.01
    p-tert-butyltoluene 431.49
    methyl 4-tert-butylbenzoate 864.41
    morpholine 2010.96
    tert-butylamine 743.4
    n-dodecanol 389.0
    dimethoxymethane 1435.85
    ethylene carbonate 1801.8
    cyrene 539.79
    2-ethoxyethyl acetate 1173.01
    2-ethylhexyl acetate 916.76
    1,2,4-trichlorobenzene 1900.79
    4-methylpyridine 2850.32
    dibutyl ether 1140.52
    2,6-dimethyl-4-heptanol 366.54
    DEF 1985.89
    dimethyl isosorbide 1043.85
    tetrachloroethylene 3535.67
    eugenol 851.4
    triacetin 1081.37
    span 80 629.12
    1,4-butanediol 383.47
    1,1-dichloroethane 4239.8
    2-methyl-1-pentanol 610.12
    methyl formate 1839.08
    2-methyl-1-butanol 753.54
    n-decane 244.37
    butyronitrile 2316.34
    3,7-dimethyl-1-octanol 617.3
    1-chlorooctane 879.52
    1-chlorotetradecane 331.05
    n-nonane 279.2
    undecane 182.49
    tert-butylcyclohexane 204.36
    cyclooctane 162.68
    cyclopentanol 970.46
    tetrahydropyran 1746.48
    tert-amyl methyl ether 644.9
    2,5,8-trioxanonane 1295.9
    1-hexene 821.9
    2-isopropoxyethanol 666.42
    2,2,2-trifluoroethanol 590.74
    methyl butyrate 1795.47

    Scent© AI

1 4

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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