Dichloroacetaldehyde

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  • Identifiers

    CAS number
    79-02-7

    Molecular formula
    C2H2Cl2O

    SMILES
    C(=O)C(Cl)Cl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 49.56%
    Green 30.37%
    Pungent 21.66%
    Fishy 20.05%
    Buttery 19.0%
    Sweet 18.19%
    Fatty 17.34%
    Metallic 16.57%
    Meaty 16.48%
    Savory 16.37%

     

    Flavor
    Odorless 45.53%
    Sulfurous 22.81%
    Mild 20.99%
    Cooked 20.43%
    Bitter 20.25%
    Roasted 20.21%
    Nitrile 20.15%
    Mousy 19.9%
    Formyl 19.49%
    Yeast 19.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    3.63 (weak acid)

    Molecular weight
    112.94 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -58 °F (NTP, 1992)
    • -37.6 to -37.4 °C

    Boiling point

    • 190 °F at 760 mmHg (NTP, 1992)
    • 89.2 °C

    Flash point

    • 48.48 ˚C est.
    • 140 °F (NTP, 1992)
    • 60 °C CC

    Solubility expt.

    • SOL IN ALC
    • Soluble in water and common organic solvents.

  • Synonyms

    • DICHLOROACETALDEHYDE
    • 2,2-Dichloroacetaldehyde
    • 79-02-7
    • Acetaldehyde, dichloro-
    • CHCl2CHO
    • Acetaldehyde, 2,2-dichloro-
    • Chloraldehyde
    • CCRIS 5387
    • alpha,alpha-Dichloroacetaldehyde
    • HSDB 5226
    • NSC 5207
    • EINECS 201-169-5
    • UNII-9GT3DHH725
    • BRN 1739030
    • 9GT3DHH725
    • Acetaldehyde,dichloro-
    • NSC-5207
    • .alpha.,.alpha.-Dichloroacetaldehyde
    • DTXSID3021560
    • NWQWQKUXRJYXFH-UHFFFAOYSA-
    • DICHLOROACETALDEHYDE [HSDB]
    • 4-01-00-03140 (Beilstein Handbook Reference)
    • DICHLOROACETALDEHYDE, 2,2-
    • Dichloroacetaldehyd
    • dichloro-acetaldehyde
    • Acetaldehyde, dichloro
    • 2,2Dichloroacetaldehyde
    • 2,2-DICHLORETHANAL
    • alpha,alphaDichloroacetaldehyde
    • SCHEMBL365239
    • DTXCID901560
    • CHEBI:34214
    • NSC5207
    • AKOS006281193
    • MSK160551-100W
    • D0312
    • NS00005907
    • D89627
    • Dichloroacetaldehyde Solution in Water, 100ug/mL
    • Q16661162
    • 201-169-5

  • Applications

    Dichloroacetaldehyde, CAS 79-02-7, is primarily used as an intermediate in organic synthesis and as a precursor to dichloroacetyl derivatives. In industry, it is commonly converted into precursors for pharmaceuticals and agrochemicals. It also participates in the production of coatings and inks as a functional aldehyde for various synthetic reactions and polymer modification, and serves as a building block for specialty chemicals and chlorine-containing materials. Additionally, it can be considered a feedstock for the synthesis of other chlorine-containing compounds in large-scale industrial manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 130.89
    methanol 203.06
    isopropanol 92.14
    water 54.23
    ethyl acetate 140.48
    n-propanol 101.0
    acetone 465.52
    n-butanol 89.78
    acetonitrile 400.48
    DMF 746.53
    toluene 59.89
    isobutanol 72.39
    1,4-dioxane 276.34
    methyl acetate 232.85
    THF 278.51
    2-butanone 249.74
    n-pentanol 81.89
    sec-butanol 92.07
    n-hexane 22.01
    ethylene glycol 85.23
    NMP 660.54
    cyclohexane 42.8
    DMSO 763.6
    n-butyl acetate 107.52
    n-octanol 54.46
    chloroform 164.74
    n-propyl acetate 130.3
    acetic acid 234.28
    dichloromethane 239.94
    cyclohexanone 256.68
    propylene glycol 46.51
    isopropyl acetate 81.62
    DMAc 715.1
    2-ethoxyethanol 200.67
    isopentanol 72.07
    n-heptane 34.27
    ethyl formate 143.21
    1,2-dichloroethane 196.6
    n-hexanol 60.0
    2-methoxyethanol 259.14
    isobutyl acetate 69.69
    tetrachloromethane 39.68
    n-pentyl acetate 67.25
    transcutol 425.15
    n-heptanol 36.79
    ethylbenzene 46.84
    MIBK 88.28
    2-propoxyethanol 134.23
    tert-butanol 105.95
    MTBE 108.49
    2-butoxyethanol 86.35
    propionic acid 107.15
    o-xylene 77.71
    formic acid 169.92
    diethyl ether 148.54
    m-xylene 50.16
    p-xylene 73.56
    chlorobenzene 78.79
    dimethyl carbonate 100.16
    n-octane 13.78
    formamide 306.51
    cyclopentanone 285.53
    2-pentanone 162.67
    anisole 133.95
    cyclopentyl methyl ether 143.24
    gamma-butyrolactone 270.87
    1-methoxy-2-propanol 149.57
    pyridine 228.15
    3-pentanone 171.0
    furfural 355.23
    n-dodecane 11.96
    diethylene glycol 153.23
    diisopropyl ether 46.95
    tert-amyl alcohol 94.59
    acetylacetone 196.4
    n-hexadecane 12.94
    acetophenone 160.59
    methyl propionate 148.15
    isopentyl acetate 82.82
    trichloroethylene 285.33
    n-nonanol 49.66
    cyclohexanol 105.48
    benzyl alcohol 101.1
    2-ethylhexanol 55.18
    isooctanol 33.28
    dipropyl ether 111.97
    1,2-dichlorobenzene 81.88
    ethyl lactate 67.51
    propylene carbonate 126.13
    n-methylformamide 306.53
    2-pentanol 64.76
    n-pentane 25.78
    1-propoxy-2-propanol 106.69
    1-methoxy-2-propyl acetate 105.64
    2-(2-methoxypropoxy) propanol 136.55
    mesitylene 39.88
    ε-caprolactone 174.37
    p-cymene 49.38
    epichlorohydrin 249.69
    1,1,1-trichloroethane 123.77
    2-aminoethanol 91.64
    morpholine-4-carbaldehyde 528.15
    sulfolane 340.21
    2,2,4-trimethylpentane 14.74
    2-methyltetrahydrofuran 201.04
    n-hexyl acetate 83.81
    isooctane 8.34
    2-(2-butoxyethoxy)ethanol 150.03
    sec-butyl acetate 76.46
    tert-butyl acetate 82.2
    decalin 20.05
    glycerin 85.17
    diglyme 328.36
    acrylic acid 133.17
    isopropyl myristate 47.72
    n-butyric acid 95.53
    acetyl acetate 104.81
    di(2-ethylhexyl) phthalate 48.6
    ethyl propionate 115.17
    nitromethane 547.49
    1,2-diethoxyethane 172.64
    benzonitrile 139.57
    trioctyl phosphate 36.4
    1-bromopropane 101.08
    gamma-valerolactone 343.23
    n-decanol 42.09
    triethyl phosphate 70.46
    4-methyl-2-pentanol 38.09
    propionitrile 170.94
    vinylene carbonate 136.96
    1,1,2-trichlorotrifluoroethane 209.1
    DMS 103.65
    cumene 39.51
    2-octanol 32.29
    2-hexanone 146.2
    octyl acetate 57.91
    limonene 76.45
    1,2-dimethoxyethane 406.22
    ethyl orthosilicate 67.85
    tributyl phosphate 49.18
    diacetone alcohol 103.34
    N,N-dimethylaniline 137.4
    acrylonitrile 226.87
    aniline 90.19
    1,3-propanediol 101.57
    bromobenzene 67.76
    dibromomethane 147.66
    1,1,2,2-tetrachloroethane 191.0
    2-methyl-cyclohexyl acetate 82.56
    tetrabutyl urea 87.87
    diisobutyl methanol 44.41
    2-phenylethanol 76.9
    styrene 62.56
    dioctyl adipate 80.54
    dimethyl sulfate 183.57
    ethyl butyrate 118.05
    methyl lactate 83.37
    butyl lactate 59.89
    diethyl carbonate 85.59
    propanediol butyl ether 85.42
    triethyl orthoformate 93.95
    p-tert-butyltoluene 44.98
    methyl 4-tert-butylbenzoate 103.99
    morpholine 290.78
    tert-butylamine 71.98
    n-dodecanol 37.36
    dimethoxymethane 263.17
    ethylene carbonate 107.02
    cyrene 148.96
    2-ethoxyethyl acetate 104.34
    2-ethylhexyl acetate 74.38
    1,2,4-trichlorobenzene 114.66
    4-methylpyridine 212.01
    dibutyl ether 86.99
    2,6-dimethyl-4-heptanol 44.41
    DEF 285.68
    dimethyl isosorbide 192.34
    tetrachloroethylene 145.68
    eugenol 111.47
    triacetin 124.17
    span 80 93.8
    1,4-butanediol 70.12
    1,1-dichloroethane 132.65
    2-methyl-1-pentanol 72.49
    methyl formate 260.1
    2-methyl-1-butanol 74.44
    n-decane 17.39
    butyronitrile 136.8
    3,7-dimethyl-1-octanol 56.86
    1-chlorooctane 41.78
    1-chlorotetradecane 22.54
    n-nonane 17.74
    undecane 13.87
    tert-butylcyclohexane 15.47
    cyclooctane 17.28
    cyclopentanol 109.11
    tetrahydropyran 186.24
    tert-amyl methyl ether 108.23
    2,5,8-trioxanonane 254.45
    1-hexene 51.44
    2-isopropoxyethanol 135.36
    2,2,2-trifluoroethanol 145.41
    methyl butyrate 151.04

    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