4-Chloro-2-butanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6322-49-2

    Molecular formula
    C4H7ClO

    SMILES
    CC(=O)CCCl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 45.53%
    Sweet 43.97%
    Cheesy 43.93%
    Herbal 42.83%
    Earthy 41.04%
    Green 40.44%
    Pungent 39.64%
    Ketonic 37.63%
    Musty 36.44%
    Caramellic 33.86%

     

    Flavor
    Sweet 39.07%
    Fishy 31.19%
    Sulfurous 29.97%
    Cheese 26.79%
    Fruity 25.86%
    Potato 25.19%
    Sulfury 24.31%
    Onion 23.66%
    Ethereal 23.45%
    Vegetable 23.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.27 (neutral)

    Molecular weight
    106.55 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    144°C

    Flash point

    • 39.51 ˚C est.

  • Synonyms

    • 4-Chloro-2-butanone
    • 4-Chlorobutan-2-one
    • 2-Butanone, 4-chloro-
    • 1-Chloro-3-butanone
    • 224CY68X2V
    • EINECS 228-680-6
    • NSC-32104
    • DTXSID00212585
    • NSC 32104
    • RefChem:98353
    • DTXCID30135076
    • MAGOYBJJLVSJIC-UHFFFAOYSA-N
    • 6322-49-2
    • 2-Chloroethyl methyl ketone
    • MFCD00037116
    • 4-chloro-butan-2-one
    • chloromethyl acetone
    • 1-Chloro-3-butanone; 2-Chloroethyl Methyl Ketone; 4-Chlorobutan-2-one; NSC 32104; ss-Chloroethyl Methyl Ketone
    • NSC32104
    • methyl beta-chloroethyl ketone
    • SCHEMBL665490
    • UNII-224CY68X2V
    • SCHEMBL7547549
    • SCHEMBL27960590
    • B-CHLOROETHYL METHYL KETONE
    • SBB007824
    • AKOS005066933
    • CS-W022162
    • CS-12560
    • SY066120
    • DB-080834
    • NS00035388
    • EN300-52443
    • F20480
    • F069833
    • 6322-49-2

  • Applications

    4-Chloro-2-butanone (CAS 6322-49-2) is primarily used as an organic synthesis intermediate, serving as a building block to access chlorinated ketone derivatives and other downstream intermediates for specialty chemicals. In practice, it is commonly evaluated as a precursor in the development of pharmaceutical and agrochemical compounds, as well as for synthesizing various functionally substituted products. As a halogenated ketone, it may also act as a feedstock for polymer and plastic material production, and it is considered for formulation contexts such as coatings and inks where reactive haloketone fragments participate in the chemistry. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 948.52
    methanol 1329.63
    isopropanol 717.26
    water 181.43
    ethyl acetate 347.6
    n-propanol 597.87
    acetone 1030.04
    n-butanol 487.65
    acetonitrile 846.13
    DMF 1149.47
    toluene 172.02
    isobutanol 446.92
    1,4-dioxane 739.67
    methyl acetate 494.93
    THF 751.25
    2-butanone 554.72
    n-pentanol 327.43
    sec-butanol 553.01
    n-hexane 103.3
    ethylene glycol 487.49
    NMP 1029.19
    cyclohexane 115.85
    DMSO 711.21
    n-butyl acetate 194.38
    n-octanol 238.99
    chloroform 1294.54
    n-propyl acetate 198.29
    acetic acid 1469.68
    dichloromethane 876.45
    cyclohexanone 629.5
    propylene glycol 443.03
    isopropyl acetate 179.04
    DMAc 994.25
    2-ethoxyethanol 513.52
    isopentanol 353.05
    n-heptane 69.86
    ethyl formate 284.75
    1,2-dichloroethane 422.29
    n-hexanol 317.11
    2-methoxyethanol 873.1
    isobutyl acetate 133.61
    tetrachloromethane 280.52
    n-pentyl acetate 186.01
    transcutol 1396.7
    n-heptanol 174.07
    ethylbenzene 103.15
    MIBK 179.56
    2-propoxyethanol 494.45
    tert-butanol 708.71
    MTBE 370.94
    2-butoxyethanol 304.42
    propionic acid 609.18
    o-xylene 155.25
    formic acid 668.25
    diethyl ether 385.87
    m-xylene 135.02
    p-xylene 155.85
    chlorobenzene 239.79
    dimethyl carbonate 146.01
    n-octane 29.1
    formamide 654.73
    cyclopentanone 673.73
    2-pentanone 360.56
    anisole 248.73
    cyclopentyl methyl ether 364.73
    gamma-butyrolactone 679.19
    1-methoxy-2-propanol 579.7
    pyridine 525.58
    3-pentanone 302.31
    furfural 655.61
    n-dodecane 23.56
    diethylene glycol 519.13
    diisopropyl ether 101.71
    tert-amyl alcohol 535.0
    acetylacetone 371.54
    n-hexadecane 25.63
    acetophenone 251.06
    methyl propionate 313.98
    isopentyl acetate 168.76
    trichloroethylene 895.76
    n-nonanol 189.98
    cyclohexanol 498.39
    benzyl alcohol 253.82
    2-ethylhexanol 179.8
    isooctanol 135.08
    dipropyl ether 188.17
    1,2-dichlorobenzene 236.08
    ethyl lactate 151.63
    propylene carbonate 313.78
    n-methylformamide 602.5
    2-pentanol 347.72
    n-pentane 102.54
    1-propoxy-2-propanol 340.94
    1-methoxy-2-propyl acetate 212.29
    2-(2-methoxypropoxy) propanol 343.47
    mesitylene 85.54
    ε-caprolactone 479.04
    p-cymene 82.98
    epichlorohydrin 556.87
    1,1,1-trichloroethane 527.9
    2-aminoethanol 655.96
    morpholine-4-carbaldehyde 881.74
    sulfolane 673.76
    2,2,4-trimethylpentane 46.03
    2-methyltetrahydrofuran 589.9
    n-hexyl acetate 286.42
    isooctane 26.11
    2-(2-butoxyethoxy)ethanol 432.52
    sec-butyl acetate 131.57
    tert-butyl acetate 190.81
    decalin 49.66
    glycerin 574.63
    diglyme 679.8
    acrylic acid 637.19
    isopropyl myristate 111.95
    n-butyric acid 522.97
    acetyl acetate 233.49
    di(2-ethylhexyl) phthalate 127.42
    ethyl propionate 180.33
    nitromethane 1313.99
    1,2-diethoxyethane 334.78
    benzonitrile 322.88
    trioctyl phosphate 90.9
    1-bromopropane 288.47
    gamma-valerolactone 787.01
    n-decanol 133.77
    triethyl phosphate 97.83
    4-methyl-2-pentanol 159.53
    propionitrile 439.96
    vinylene carbonate 317.48
    1,1,2-trichlorotrifluoroethane 659.61
    DMS 232.72
    cumene 81.96
    2-octanol 142.59
    2-hexanone 261.92
    octyl acetate 145.82
    limonene 133.97
    1,2-dimethoxyethane 637.08
    ethyl orthosilicate 99.52
    tributyl phosphate 110.72
    diacetone alcohol 309.83
    N,N-dimethylaniline 195.46
    acrylonitrile 544.24
    aniline 310.37
    1,3-propanediol 574.72
    bromobenzene 210.74
    dibromomethane 597.89
    1,1,2,2-tetrachloroethane 707.99
    2-methyl-cyclohexyl acetate 150.39
    tetrabutyl urea 151.33
    diisobutyl methanol 95.96
    2-phenylethanol 211.99
    styrene 136.54
    dioctyl adipate 177.35
    dimethyl sulfate 236.98
    ethyl butyrate 155.04
    methyl lactate 245.0
    butyl lactate 180.21
    diethyl carbonate 114.85
    propanediol butyl ether 380.79
    triethyl orthoformate 128.1
    p-tert-butyltoluene 81.17
    methyl 4-tert-butylbenzoate 221.03
    morpholine 801.07
    tert-butylamine 440.38
    n-dodecanol 101.78
    dimethoxymethane 434.64
    ethylene carbonate 253.18
    cyrene 291.82
    2-ethoxyethyl acetate 254.91
    2-ethylhexyl acetate 140.22
    1,2,4-trichlorobenzene 307.53
    4-methylpyridine 486.61
    dibutyl ether 201.69
    2,6-dimethyl-4-heptanol 95.96
    DEF 459.43
    dimethyl isosorbide 372.36
    tetrachloroethylene 561.71
    eugenol 239.06
    triacetin 324.44
    span 80 325.97
    1,4-butanediol 284.93
    1,1-dichloroethane 566.59
    2-methyl-1-pentanol 279.55
    methyl formate 426.56
    2-methyl-1-butanol 397.04
    n-decane 40.67
    butyronitrile 394.67
    3,7-dimethyl-1-octanol 183.27
    1-chlorooctane 126.99
    1-chlorotetradecane 52.29
    n-nonane 43.8
    undecane 29.31
    tert-butylcyclohexane 50.75
    cyclooctane 36.05
    cyclopentanol 544.13
    tetrahydropyran 575.74
    tert-amyl methyl ether 285.41
    2,5,8-trioxanonane 517.48
    1-hexene 226.96
    2-isopropoxyethanol 342.39
    2,2,2-trifluoroethanol 512.75
    methyl butyrate 240.15

    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