Chloroacetone

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  • Identifiers

    CAS number
    78-95-5

    Molecular formula
    C3H5ClO

    SMILES
    CC(=O)CCl

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 59.33%
    Caramellic 52.11%
    Buttery 51.24%
    Pungent 45.57%
    Nutty 43.06%
    Fatty 42.33%
    Creamy 40.66%
    Cheesy 38.0%
    Earthy 36.09%
    Musty 35.99%

     

    Flavor
    Fishy 28.98%
    Oily 26.76%
    Dairy 26.1%
    Sulfurous 25.71%
    Pungent 25.62%
    Cheese 25.05%
    Milky 24.2%
    Potato 23.97%
    Sweet 23.88%
    Mousy 23.29%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.02 [mmHg]. Odor Threshold High: 0.39 [mmHg]. Odor threshold from CHEMINFO

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.47 (neutral)

    Molecular weight
    92.52 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -44.5 °C
    • Yellow needles from alcohol; mp: 124 °C /Chloroacetone 2,4-dihydrophenylhydrazone/
    • -45 °C

    Boiling point

    • 248 °F (120 ° C)
    • 119 °C
    • Turns dark and resinifies on prolonged exposure to light; may be stabilized by addition of 0.1% H2O or 1% CaCO3. BP: 61 °C at 50 mm Hg; 20 °C at 12 mm Hg
    • 120 °C

    Flash point

    • 32.06 ˚C est.
    • 82 °F
    • 40 °C (open cup)
    • 35 °C closed cup
    • 35 °C c.c.

    Solubility expt.

    • Miscible with alcohol, ether and chloroform. Soluble in 10 parts water (wet weight)
    • In water, 8.25X10+4 mg/L, temperature unspecified
    • Solubility in water, g/100ml at 20 °C: 10

  • Synonyms

    • Chloroacetone
    • 1-Chloropropan-2-one
    • 78-95-5
    • Chloropropanone
    • Monochloroacetone
    • 1-Chloroacetone
    • Acetonyl chloride
    • Chloro-2-propanone
    • 1-CHLORO-2-PROPANONE
    • Chloracetone
    • Chloromethyl methyl ketone
    • Tonite
    • Monochloracetone
    • 2-Propanone, 1-chloro-
    • 3-Chloro-2-propanone
    • Acetone, chloro-
    • 1-Chloropropanone
    • Monochloropropanone
    • A-Stoff
    • alpha-Chloroacetone
    • 1-Chloro-2-ketopropane
    • Chloracetone [French]
    • 1-Chloro-2-oxopropane
    • .alpha.-Chloroacetone
    • NSC 30673
    • CCRIS 1943
    • 1-chloro-propan-2-one
    • Chloroacetone, stabilized
    • HSDB 1070
    • chloromethylketone
    • EINECS 201-161-1
    • UN1695
    • BRN 0605369
    • DTXSID0021547
    • CHEBI:47220
    • NSC-30673
    • CHLOROACETONE [MI]
    • 60ZTR74268
    • DTXCID101547
    • EC 201-161-1
    • 4-01-00-03215 (Beilstein Handbook Reference)
    • 1-CHLORO-2-PROPANONE [HSDB]
    • Cholroacetone
    • MONOCHLOROACETONE, (STABILIZED)
    • MONOCHLOROACETONE, [STABILIZED]
    • chloroactone
    • cloroacetone
    • chloro acetone
    • chloro-acetone
    • 1Chloroacetone
    • chloro-propanone
    • Chloro2propanone
    • Acetone, chloro
    • UNII-60ZTR74268
    • 1Chloro2propanone
    • 3Chloro2propanone
    • isopropoyl chloride
    • 1Chloro2oxopropane
    • Chlorinated acetone
    • 1Chloro2ketopropane
    • 1-Chloroacetone #
    • isopropanoyl chloride
    • MFCD00000936
    • 2Propanone, 1chloro
    • Chloroacetone, 95%
    • UN 1695
    • propanone, 1-chloro-
    • CH3COCH2Cl
    • Chloroacetone (unstabilized) [Forbidden]
    • ClCH2COCH3
    • 1-Chloro-propane-2-one
    • Monochloroacetone (unstabilized) [Forbidden]
    • Chloroacetone (unstabilized)
    • WLN: G1V1
    • 2-PROPANONE, CHLORO-
    • Monochloroacetone (unstabilized)
    • CHEMBL1231084
    • NSC30673
    • Tox21_200027
    • BBL036265
    • STL185549
    • AKOS000119650
    • CAS-78-95-5
    • NCGC00166003-01
    • NCGC00166003-02
    • NCGC00257581-01
    • NS00008819
    • Chloroacetone, stabilized [UN1695] [Poison]
    • InChI=1/C3H5ClO/c1-3(5)2-4/h2H2,1H
    • Q425346
    • Chloroacetone, produced by Wacker Chemie AG, Burghausen, Germany, >=96.0% (GC)
    • 201-161-1

  • Applications

    Chloroacetone (CAS 78-95-5) is used primarily as an organic synthesis intermediate, enabling introduction of the chloroacetyl functionality into molecules and serving as a precursor for pharmaceutical and agrochemical intermediates. It acts as a building block in the preparation of heterocyclic compounds and beta-dicarbonyl intermediates. It is also employed in the production of specialty chemicals, providing a reactive scaffold for functionalization and downstream transformations. In research and production settings, chloroacetone is treated as a versatile starting material and building block for further synthetic routes, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 789.23
    methanol 1199.77
    isopropanol 588.71
    water 381.98
    ethyl acetate 282.41
    n-propanol 482.35
    acetone 1078.52
    n-butanol 376.2
    acetonitrile 806.29
    DMF 1589.67
    toluene 107.91
    isobutanol 353.19
    1,4-dioxane 625.28
    methyl acetate 463.81
    THF 533.57
    2-butanone 549.08
    n-pentanol 263.93
    sec-butanol 428.41
    n-hexane 71.54
    ethylene glycol 512.38
    NMP 1220.95
    cyclohexane 80.1
    DMSO 846.86
    n-butyl acetate 133.78
    n-octanol 170.73
    chloroform 681.93
    n-propyl acetate 174.86
    acetic acid 1134.89
    dichloromethane 544.6
    cyclohexanone 491.13
    propylene glycol 424.96
    isopropyl acetate 153.29
    DMAc 1412.64
    2-ethoxyethanol 509.64
    isopentanol 276.89
    n-heptane 48.33
    ethyl formate 272.01
    1,2-dichloroethane 299.34
    n-hexanol 206.31
    2-methoxyethanol 875.01
    isobutyl acetate 109.28
    tetrachloromethane 164.34
    n-pentyl acetate 124.85
    transcutol 1061.04
    n-heptanol 117.01
    ethylbenzene 77.14
    MIBK 165.98
    2-propoxyethanol 393.17
    tert-butanol 625.42
    MTBE 325.42
    2-butoxyethanol 231.27
    propionic acid 481.35
    o-xylene 120.96
    formic acid 703.73
    diethyl ether 307.99
    m-xylene 94.92
    p-xylene 120.12
    chlorobenzene 151.98
    dimethyl carbonate 158.98
    n-octane 20.93
    formamide 738.74
    cyclopentanone 557.48
    2-pentanone 327.7
    anisole 221.38
    cyclopentyl methyl ether 274.89
    gamma-butyrolactone 527.36
    1-methoxy-2-propanol 590.68
    pyridine 380.72
    3-pentanone 296.8
    furfural 536.07
    n-dodecane 18.74
    diethylene glycol 477.16
    diisopropyl ether 87.27
    tert-amyl alcohol 453.56
    acetylacetone 359.13
    n-hexadecane 19.73
    acetophenone 241.64
    methyl propionate 299.6
    isopentyl acetate 116.73
    trichloroethylene 575.52
    n-nonanol 140.81
    cyclohexanol 356.85
    benzyl alcohol 224.7
    2-ethylhexanol 123.69
    isooctanol 93.06
    dipropyl ether 146.48
    1,2-dichlorobenzene 159.51
    ethyl lactate 144.78
    propylene carbonate 239.12
    n-methylformamide 742.89
    2-pentanol 264.37
    n-pentane 75.22
    1-propoxy-2-propanol 262.27
    1-methoxy-2-propyl acetate 164.94
    2-(2-methoxypropoxy) propanol 313.78
    mesitylene 66.66
    ε-caprolactone 336.22
    p-cymene 62.06
    epichlorohydrin 441.85
    1,1,1-trichloroethane 341.39
    2-aminoethanol 611.93
    morpholine-4-carbaldehyde 977.84
    sulfolane 600.16
    2,2,4-trimethylpentane 37.91
    2-methyltetrahydrofuran 422.07
    n-hexyl acetate 204.55
    isooctane 20.37
    2-(2-butoxyethoxy)ethanol 368.92
    sec-butyl acetate 110.18
    tert-butyl acetate 162.43
    decalin 38.01
    glycerin 581.9
    diglyme 602.86
    acrylic acid 524.84
    isopropyl myristate 84.86
    n-butyric acid 362.17
    acetyl acetate 194.7
    di(2-ethylhexyl) phthalate 97.99
    ethyl propionate 170.24
    nitromethane 1239.0
    1,2-diethoxyethane 262.83
    benzonitrile 232.57
    trioctyl phosphate 67.28
    1-bromopropane 183.41
    gamma-valerolactone 698.14
    n-decanol 103.28
    triethyl phosphate 87.86
    4-methyl-2-pentanol 127.58
    propionitrile 372.26
    vinylene carbonate 239.38
    1,1,2-trichlorotrifluoroethane 589.1
    DMS 193.41
    cumene 66.02
    2-octanol 93.7
    2-hexanone 228.26
    octyl acetate 112.17
    limonene 104.7
    1,2-dimethoxyethane 661.53
    ethyl orthosilicate 84.46
    tributyl phosphate 86.11
    diacetone alcohol 301.99
    N,N-dimethylaniline 199.42
    acrylonitrile 482.82
    aniline 239.59
    1,3-propanediol 516.32
    bromobenzene 117.15
    dibromomethane 348.63
    1,1,2,2-tetrachloroethane 473.23
    2-methyl-cyclohexyl acetate 118.29
    tetrabutyl urea 136.48
    diisobutyl methanol 75.82
    2-phenylethanol 158.42
    styrene 98.83
    dioctyl adipate 141.07
    dimethyl sulfate 265.28
    ethyl butyrate 128.72
    methyl lactate 248.07
    butyl lactate 129.34
    diethyl carbonate 93.53
    propanediol butyl ether 298.76
    triethyl orthoformate 104.54
    p-tert-butyltoluene 61.66
    methyl 4-tert-butylbenzoate 196.67
    morpholine 698.69
    tert-butylamine 397.08
    n-dodecanol 81.41
    dimethoxymethane 541.88
    ethylene carbonate 183.08
    cyrene 279.44
    2-ethoxyethyl acetate 184.04
    2-ethylhexyl acetate 95.86
    1,2,4-trichlorobenzene 220.1
    4-methylpyridine 369.1
    dibutyl ether 144.44
    2,6-dimethyl-4-heptanol 75.82
    DEF 497.85
    dimethyl isosorbide 318.83
    tetrachloroethylene 385.27
    eugenol 207.62
    triacetin 263.3
    span 80 251.05
    1,4-butanediol 279.06
    1,1-dichloroethane 367.97
    2-methyl-1-pentanol 217.12
    methyl formate 519.98
    2-methyl-1-butanol 300.94
    n-decane 29.78
    butyronitrile 294.24
    3,7-dimethyl-1-octanol 144.54
    1-chlorooctane 85.74
    1-chlorotetradecane 39.26
    n-nonane 30.97
    undecane 22.71
    tert-butylcyclohexane 38.95
    cyclooctane 25.34
    cyclopentanol 400.24
    tetrahydropyran 402.96
    tert-amyl methyl ether 255.83
    2,5,8-trioxanonane 476.87
    1-hexene 157.9
    2-isopropoxyethanol 334.77
    2,2,2-trifluoroethanol 499.76
    methyl butyrate 222.02

    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