Chloroacetaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    107-20-0

    Molecular formula
    C2H3ClO

    SMILES
    C(C=O)Cl

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 50.79%
    Pungent 47.19%
    Fruity 33.6%
    Ethereal 33.53%
    Sharp 32.59%
    Odorless 30.93%
    Cheesy 26.9%
    Fresh 26.79%
    Fermented 26.17%
    Fatty 25.56%

     

    Flavor
    Pungent 42.13%
    Mustard 39.16%
    Odorless 31.32%
    Garlic 29.51%
    Sulfurous 28.03%
    Sulfur 27.99%
    Formyl 23.52%
    Onion 22.71%
    Mousy 22.4%
    Horseradish 21.92%

     

    Odor impact est.
    High

    Odor threshold

    • Odor threshold: 3.0 mg/cu m

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    4.82 (weak acid)

    Molecular weight
    78.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 3 °F (USCG, 1999)
    • -16.3 °C
    • 16 °C (40% solution)
    • 3 °F (40% solution)
    • -3 °F (40% solution)

    Boiling point

    • 185 °F at 760 mmHg (NTP, 1992)
    • 85.5 °C
    • Platelets from water; bp: 85.5 °C with decomposition into water and chloraldehyde; mp 43-50 °C; soluble in water, alcohol, ether /Chloroacetaldehyde hemihydrate/
    • 85-100 °C (40% solution)
    • 186 °F

    Flash point

    • 39.18 ˚C est.
    • 190 °F (NTP, 1992)
    • 87 °C
    • 190 °F (87.7 °C) CLOSED CUP
    • 88 °C c.c.
    • 190 °F (40% solution)

    Solubility expt.

    • greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)
    • Miscible in all proportions with water
    • Soluble in ether
    • Soluble in acetone and methanol
    • Solubility in water: miscible
    • Miscible

  • Synonyms

    • CHLOROACETALDEHYDE
    • 2-chloroacetaldehyde
    • 107-20-0
    • 2-Chloroethanal
    • Chloroethanal
    • Acetaldehyde, chloro-
    • Chloroaldehyde
    • Monochloroacetaldehyde
    • 2-Chloro-1-ethanal
    • Acetaldehyde, 2-chloro-
    • Chloroacetaldehyde monomer
    • RCRA waste number P023
    • Chloroacetalaldehyde
    • CH2ClCHO
    • CCRIS 856
    • alpha-chloroacetaldehyde
    • HSDB 2521
    • EINECS 203-472-8
    • UNII-CF069F5D9C
    • UN2232
    • BRN 1071226
    • CF069F5D9C
    • DTXSID4020292
    • 2-Chloro-Acetaldehyde
    • CHEBI:27871
    • DTXCID60292
    • CHLOROACETALDEHYDE [MI]
    • CHLOROACETALDEHYDE [HSDB]
    • EC 203-472-8
    • 4-01-00-03134 (Beilstein Handbook Reference)
    • MFCD00006992
    • UN 2232
    • Chloroacetaldehyde (~45per cent in water)
    • Chloroacetaldehyde (~45% in water)
    • RCRA waste no. P023
    • 2Chloroethanal
    • chloracetaldehyde
    • chloroactaldehyde
    • 2Chloro1ethanal
    • chloroacetoaldehyde
    • chloro acetaldehyde
    • chloro-acetaldehyde
    • 2Chloroacetaldehyde
    • acetaldehyde, chloro
    • ClCH2CHO
    • chloroacetaldehyde (CAA)
    • CHEMBL506976
    • Chloroacetaldehyde (40% aq.)
    • Chloroacetaldehyde (ACGIH:OSHA)
    • CHLOROACETALDEHYDE, MONOMER
    • STR01221
    • Tox21_301152
    • STL264246
    • AKOS000118948
    • FC01835
    • 2-Chloroethanal [UN2232] [Poison]
    • NCGC00248308-01
    • NCGC00255050-01
    • BP-13328
    • CAS-107-20-0
    • NS00002632
    • EN300-19136
    • C06754
    • Chloroacetaldehyde, 45% w/w solution in water
    • CHLOROACETALDEHYDE (40% AQUEOUS SOLUTION)
    • Q1950418
    • 203-472-8

  • Applications

    Chloroacetaldehyde (CAS 107-20-0) is an industrially reactive aldehyde primarily employed as a building block to introduce a chloroacetyl or 2-chloroethyl functionality into downstream compounds. In pharmaceutical and medicinal-chemistry applications, it serves as a precursor for various intermediates and, after further transformations, for some active compounds; in the dyes and pigments sector, it provides chlorinated intermediates used in dye chemistry; in agrochemical production, it acts as a precursor for herbicidal and other agrochemical intermediates; in polymer and plastics chemistry, it is used to prepare functionalized monomers or crosslinking agents; in coatings and specialty resins, it participates in reactive resin formulations; and in electronics and other advanced materials applications, it is evaluated as a route to specialty chemicals and intermediates. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.03
    methanol 218.96
    isopropanol 67.73
    water 64.4
    ethyl acetate 98.56
    n-propanol 71.07
    acetone 380.18
    n-butanol 58.63
    acetonitrile 412.61
    DMF 730.04
    toluene 30.52
    isobutanol 49.67
    1,4-dioxane 190.34
    methyl acetate 165.03
    THF 170.15
    2-butanone 163.78
    n-pentanol 49.8
    sec-butanol 52.57
    n-hexane 10.82
    ethylene glycol 90.68
    NMP 610.43
    cyclohexane 18.24
    DMSO 727.6
    n-butyl acetate 74.85
    n-octanol 37.94
    chloroform 151.23
    n-propyl acetate 78.3
    acetic acid 340.49
    dichloromethane 228.82
    cyclohexanone 184.19
    propylene glycol 49.51
    isopropyl acetate 49.08
    DMAc 583.11
    2-ethoxyethanol 135.26
    isopentanol 45.17
    n-heptane 14.8
    ethyl formate 108.1
    1,2-dichloroethane 157.28
    n-hexanol 40.34
    2-methoxyethanol 213.65
    isobutyl acetate 41.37
    tetrachloromethane 28.32
    n-pentyl acetate 46.03
    transcutol 436.58
    n-heptanol 21.93
    ethylbenzene 22.64
    MIBK 44.46
    2-propoxyethanol 101.46
    tert-butanol 71.31
    MTBE 53.34
    2-butoxyethanol 58.87
    propionic acid 123.04
    o-xylene 34.35
    formic acid 229.6
    diethyl ether 68.87
    m-xylene 23.89
    p-xylene 38.09
    chlorobenzene 66.97
    dimethyl carbonate 64.36
    n-octane 6.04
    formamide 335.65
    cyclopentanone 235.89
    2-pentanone 96.38
    anisole 75.44
    cyclopentyl methyl ether 67.69
    gamma-butyrolactone 257.01
    1-methoxy-2-propanol 112.3
    pyridine 181.49
    3-pentanone 96.72
    furfural 326.52
    n-dodecane 5.98
    diethylene glycol 134.52
    diisopropyl ether 18.34
    tert-amyl alcohol 53.27
    acetylacetone 146.04
    n-hexadecane 6.57
    acetophenone 103.4
    methyl propionate 101.86
    isopentyl acetate 56.67
    trichloroethylene 263.48
    n-nonanol 32.94
    cyclohexanol 61.74
    benzyl alcohol 71.15
    2-ethylhexanol 32.95
    isooctanol 19.99
    dipropyl ether 53.11
    1,2-dichlorobenzene 76.69
    ethyl lactate 49.52
    propylene carbonate 112.22
    n-methylformamide 323.74
    2-pentanol 34.46
    n-pentane 9.86
    1-propoxy-2-propanol 72.42
    1-methoxy-2-propyl acetate 70.18
    2-(2-methoxypropoxy) propanol 111.07
    mesitylene 18.75
    ε-caprolactone 140.04
    p-cymene 24.81
    epichlorohydrin 198.26
    1,1,1-trichloroethane 86.32
    2-aminoethanol 93.72
    morpholine-4-carbaldehyde 450.27
    sulfolane 338.75
    2,2,4-trimethylpentane 5.64
    2-methyltetrahydrofuran 114.54
    n-hexyl acetate 65.86
    isooctane 3.3
    2-(2-butoxyethoxy)ethanol 127.41
    sec-butyl acetate 42.08
    tert-butyl acetate 44.48
    decalin 9.58
    glycerin 95.83
    diglyme 263.37
    acrylic acid 169.32
    isopropyl myristate 29.95
    n-butyric acid 92.62
    acetyl acetate 83.97
    di(2-ethylhexyl) phthalate 37.83
    ethyl propionate 68.29
    nitromethane 669.36
    1,2-diethoxyethane 116.78
    benzonitrile 124.15
    trioctyl phosphate 25.85
    1-bromopropane 57.12
    gamma-valerolactone 296.36
    n-decanol 26.36
    triethyl phosphate 43.44
    4-methyl-2-pentanol 19.42
    propionitrile 142.92
    vinylene carbonate 132.71
    1,1,2-trichlorotrifluoroethane 201.81
    DMS 89.71
    cumene 20.45
    2-octanol 18.91
    2-hexanone 79.45
    octyl acetate 38.38
    limonene 37.47
    1,2-dimethoxyethane 268.53
    ethyl orthosilicate 39.34
    tributyl phosphate 38.54
    diacetone alcohol 64.37
    N,N-dimethylaniline 72.18
    acrylonitrile 226.79
    aniline 61.49
    1,3-propanediol 91.75
    bromobenzene 55.94
    dibromomethane 120.02
    1,1,2,2-tetrachloroethane 159.53
    2-methyl-cyclohexyl acetate 50.74
    tetrabutyl urea 68.26
    diisobutyl methanol 22.55
    2-phenylethanol 50.25
    styrene 34.46
    dioctyl adipate 59.21
    dimethyl sulfate 143.79
    ethyl butyrate 69.69
    methyl lactate 73.95
    butyl lactate 48.67
    diethyl carbonate 54.83
    propanediol butyl ether 78.93
    triethyl orthoformate 55.19
    p-tert-butyltoluene 21.55
    methyl 4-tert-butylbenzoate 67.99
    morpholine 201.52
    tert-butylamine 44.13
    n-dodecanol 22.68
    dimethoxymethane 168.3
    ethylene carbonate 96.18
    cyrene 101.97
    2-ethoxyethyl acetate 80.16
    2-ethylhexyl acetate 47.7
    1,2,4-trichlorobenzene 96.18
    4-methylpyridine 152.09
    dibutyl ether 52.68
    2,6-dimethyl-4-heptanol 22.55
    DEF 196.78
    dimethyl isosorbide 144.35
    tetrachloroethylene 127.8
    eugenol 79.25
    triacetin 108.21
    span 80 79.85
    1,4-butanediol 54.54
    1,1-dichloroethane 96.88
    2-methyl-1-pentanol 42.92
    methyl formate 228.93
    2-methyl-1-butanol 44.95
    n-decane 8.4
    butyronitrile 104.14
    3,7-dimethyl-1-octanol 36.56
    1-chlorooctane 25.15
    1-chlorotetradecane 13.09
    n-nonane 8.36
    undecane 6.85
    tert-butylcyclohexane 7.8
    cyclooctane 6.14
    cyclopentanol 74.42
    tetrahydropyran 108.7
    tert-amyl methyl ether 46.6
    2,5,8-trioxanonane 209.01
    1-hexene 27.14
    2-isopropoxyethanol 83.41
    2,2,2-trifluoroethanol 153.99
    methyl butyrate 95.22

    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