4'-Chloropropiophenone

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  • Identifiers

    CAS number
    6285-05-8

    Molecular formula
    C9H9ClO

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 77.3%
    Sweet 55.95%
    Fruity 43.52%
    Powdery 40.05%
    Hay 38.98%
    Hawthorn 38.85%
    Neroli 38.25%
    Cherry 37.31%
    Grape 36.32%
    Honey 35.09%

     

    Flavor
    Sweet 37.57%
    Phenolic 33.0%
    Bitter 28.44%
    Mild 27.82%
    Fruity 26.98%
    Powdery 26.88%
    Balsam 26.64%
    Honey 26.64%
    Floral 26.44%
    Hawthorn 25.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.81 (neutral)

    Molecular weight
    168.62 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point

    • 110.75 ˚C est.

  • Synonyms

    • 4'-Chloropropiophenone
    • p-Chloropropiophenone
    • 4-Chloropropiophenone
    • 1-Propanone, 1-(4-chlorophenyl)-
    • PROPIOPHENONE, 4'-CHLORO-
    • Ethyl p-chlorophenyl ketone
    • Propiophenone, p-chloro-
    • USAF EK-5296
    • 1-(4-Chlorophenyl)-1-propanone
    • Ethyl 4-chlorophenyl ketone
    • NSC 5600
    • 26AY8WJA1E
    • DTXSID1048203
    • 1-(4-chlorophenyl)propane-1-one
    • NSC-5600
    • EINECS 228-511-6
    • UNII-26AY8WJA1E
    • BRN 1100638
    • AI3-23870
    • DTXCID9028178
    • 4-07-00-00683 (Beilstein Handbook Reference)
    • RefChem:95948
    • 228-511-6
    • ADCYRBXQAJXJTD-UHFFFAOYSA-N
    • 6285-05-8
    • 1-(4-chlorophenyl)propan-1-one
    • MFCD00000626
    • 4-Chlorophenyl Ethyl Ketone
    • NSC5600
    • 4`-Chloropropiophenone
    • 4\'-Chloropropiophenone
    • WLN: GR DV2
    • 4'-CHLOROPROPIOPHENON
    • SCHEMBL193883
    • SCHEMBL196299
    • SCHEMBL315229
    • 4'-Chloropropiophenone, 98%
    • SCHEMBL2915596
    • SCHEMBL7214228
    • CHEMBL2251218
    • SCHEMBL17187853
    • 1-(4-chloropenyl)propan-1-one
    • STR03376
    • 1-(4-chloro-phenyl)-propan-1-one
    • Tox21_303381
    • SBB035779
    • STK397560
    • AKOS000120501
    • CS-W016035
    • FC37749
    • NCGC00257311-01
    • SY002144
    • CAS-6285-05-8
    • C1616
    • NS00015734
    • ST50406266
    • EN300-20251
    • 4 inverted exclamation marka-Chloropropiophenone
    • S12307
    • 4 inverted exclamation mark -Chloropropiophenone
    • F317876
    • Q27254084
    • F0001-1697
    • Z104477486
    • 6285-05-8

  • Applications

    4'-Chloropropiophenone (CAS 6285-05-8) is primarily used as an organic synthesis intermediate, providing a para-chloro aryl ketone scaffold for further transformations. In the pharmaceutical sector, it is commonly employed as a building block to access drug-like intermediates and related compounds. In the fragrance and perfumery industry, it can function as an aroma-related intermediate that undergoes subsequent functionalization to yield fragrance ingredients. In polymers and coatings, it serves as a precursor for functionalized monomers or crosslinkable motifs used in specialty materials. It is also encountered in dye and ink chemistry and materials research as a versatile aryl ketone reagent for preparing diverse derivatives. In addition, it appears in academic and process-development settings as a reagent for exploratory synthesis of aryl ketone compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.57
    methanol 179.24
    isopropanol 136.95
    water 2.25
    ethyl acetate 551.86
    n-propanol 157.58
    acetone 1086.75
    n-butanol 151.94
    acetonitrile 672.66
    DMF 1663.6
    toluene 472.43
    isobutanol 126.17
    1,4-dioxane 838.74
    methyl acetate 675.59
    THF 841.95
    2-butanone 831.48
    n-pentanol 145.29
    sec-butanol 151.17
    n-hexane 40.12
    ethylene glycol 68.64
    NMP 1561.89
    cyclohexane 48.1
    DMSO 1168.1
    n-butyl acetate 396.17
    n-octanol 57.89
    chloroform 1942.89
    n-propyl acetate 416.45
    acetic acid 417.19
    dichloromethane 1892.07
    cyclohexanone 1010.59
    propylene glycol 62.55
    isopropyl acetate 314.71
    DMAc 1351.3
    2-ethoxyethanol 364.35
    isopentanol 155.19
    n-heptane 17.07
    ethyl formate 371.24
    1,2-dichloroethane 1234.86
    n-hexanol 123.9
    2-methoxyethanol 432.54
    isobutyl acetate 217.51
    tetrachloromethane 348.57
    n-pentyl acetate 227.67
    transcutol 1551.51
    n-heptanol 69.53
    ethylbenzene 269.63
    MIBK 283.91
    2-propoxyethanol 330.82
    tert-butanol 203.27
    MTBE 344.61
    2-butoxyethanol 206.08
    propionic acid 284.3
    o-xylene 286.23
    formic acid 184.58
    diethyl ether 402.96
    m-xylene 253.65
    p-xylene 339.56
    chlorobenzene 761.6
    dimethyl carbonate 359.93
    n-octane 6.18
    formamide 463.12
    cyclopentanone 1251.14
    2-pentanone 560.85
    anisole 709.26
    cyclopentyl methyl ether 420.92
    gamma-butyrolactone 1292.15
    1-methoxy-2-propanol 282.87
    pyridine 1111.91
    3-pentanone 562.68
    furfural 1425.84
    n-dodecane 4.64
    diethylene glycol 279.12
    diisopropyl ether 119.19
    tert-amyl alcohol 209.97
    acetylacetone 806.19
    n-hexadecane 5.69
    acetophenone 699.66
    methyl propionate 476.7
    isopentyl acetate 336.41
    trichloroethylene 3197.26
    n-nonanol 55.21
    cyclohexanol 190.97
    benzyl alcohol 389.78
    2-ethylhexanol 99.44
    isooctanol 64.16
    dipropyl ether 163.19
    1,2-dichlorobenzene 745.85
    ethyl lactate 161.84
    propylene carbonate 636.32
    n-methylformamide 622.29
    2-pentanol 117.25
    n-pentane 27.88
    1-propoxy-2-propanol 208.94
    1-methoxy-2-propyl acetate 405.24
    2-(2-methoxypropoxy) propanol 276.2
    mesitylene 161.18
    ε-caprolactone 751.23
    p-cymene 106.09
    epichlorohydrin 1565.7
    1,1,1-trichloroethane 1180.38
    2-aminoethanol 112.61
    morpholine-4-carbaldehyde 1390.0
    sulfolane 1453.68
    2,2,4-trimethylpentane 27.33
    2-methyltetrahydrofuran 639.85
    n-hexyl acetate 277.46
    isooctane 16.66
    2-(2-butoxyethoxy)ethanol 333.6
    sec-butyl acetate 275.25
    tert-butyl acetate 369.36
    decalin 45.11
    glycerin 122.33
    diglyme 855.56
    acrylic acid 365.09
    isopropyl myristate 104.12
    n-butyric acid 301.14
    acetyl acetate 443.03
    di(2-ethylhexyl) phthalate 121.82
    ethyl propionate 362.27
    nitromethane 1545.25
    1,2-diethoxyethane 446.91
    benzonitrile 638.71
    trioctyl phosphate 72.91
    1-bromopropane 446.86
    gamma-valerolactone 1451.28
    n-decanol 39.84
    triethyl phosphate 177.83
    4-methyl-2-pentanol 78.1
    propionitrile 397.31
    vinylene carbonate 684.64
    1,1,2-trichlorotrifluoroethane 887.32
    DMS 469.72
    cumene 149.68
    2-octanol 48.05
    2-hexanone 430.1
    octyl acetate 125.14
    limonene 140.02
    1,2-dimethoxyethane 769.34
    ethyl orthosilicate 159.62
    tributyl phosphate 114.93
    diacetone alcohol 325.25
    N,N-dimethylaniline 416.76
    acrylonitrile 680.52
    aniline 450.82
    1,3-propanediol 160.72
    bromobenzene 874.21
    dibromomethane 1014.31
    1,1,2,2-tetrachloroethane 1774.64
    2-methyl-cyclohexyl acetate 245.57
    tetrabutyl urea 149.35
    diisobutyl methanol 66.8
    2-phenylethanol 273.35
    styrene 434.57
    dioctyl adipate 188.03
    dimethyl sulfate 697.26
    ethyl butyrate 288.93
    methyl lactate 215.63
    butyl lactate 172.76
    diethyl carbonate 234.16
    propanediol butyl ether 188.02
    triethyl orthoformate 197.71
    p-tert-butyltoluene 102.46
    methyl 4-tert-butylbenzoate 306.89
    morpholine 803.48
    tert-butylamine 131.56
    n-dodecanol 30.22
    dimethoxymethane 648.74
    ethylene carbonate 496.76
    cyrene 351.59
    2-ethoxyethyl acetate 435.35
    2-ethylhexyl acetate 290.14
    1,2,4-trichlorobenzene 930.99
    4-methylpyridine 1201.74
    dibutyl ether 132.87
    2,6-dimethyl-4-heptanol 66.8
    DEF 808.51
    dimethyl isosorbide 516.16
    tetrachloroethylene 1263.48
    eugenol 317.85
    triacetin 386.67
    span 80 193.77
    1,4-butanediol 96.2
    1,1-dichloroethane 1001.97
    2-methyl-1-pentanol 169.14
    methyl formate 547.36
    2-methyl-1-butanol 154.25
    n-decane 7.74
    butyronitrile 322.41
    3,7-dimethyl-1-octanol 73.25
    1-chlorooctane 55.9
    1-chlorotetradecane 22.46
    n-nonane 7.06
    undecane 5.78
    tert-butylcyclohexane 39.39
    cyclooctane 17.94
    cyclopentanol 206.45
    tetrahydropyran 580.57
    tert-amyl methyl ether 279.63
    2,5,8-trioxanonane 506.94
    1-hexene 142.05
    2-isopropoxyethanol 256.57
    2,2,2-trifluoroethanol 279.16
    methyl butyrate 483.3

    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