2-Chloro-1,1-dimethoxyethane

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  • Identifiers

    CAS number
    97-97-2

    Molecular formula
    C4H9ClO2

    SMILES
    COC(CCl)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Ethereal 61.77%
    Fruity 55.2%
    Alcoholic 42.54%
    Fermented 32.98%
    Sweet 32.17%
    Odorless 31.66%
    Fresh 31.28%
    Sharp 26.7%
    Pungent 25.08%
    Malty 24.47%

     

    Flavor
    Fruity 37.29%
    Sulfurous 34.38%
    Bitter 33.29%
    Onion 31.5%
    Vegetable 31.3%
    Alcoholic 31.2%
    Green 26.96%
    Fatty 26.03%
    Roasted 25.84%
    Musty 25.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.19 (weak acid)

    Molecular weight
    124.56 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    131°C

    Flash point

    • 33.02 ˚C est.

  • Synonyms

    • Chloroacetaldehyde dimethyl acetal
    • 97-97-2
    • 2-Chloro-1,1-dimethoxyethane
    • ETHANE, 2-CHLORO-1,1-DIMETHOXY-
    • Dimethyl chloracetal
    • Chloroacetaldehyde, dimethyl acetal
    • 1-chloro-2,2-dimethoxyethane
    • 2-Chloroacetaldehyde, dimethyl acetal
    • Acetaldehyde, chloro-, dimethyl acetal
    • 2-Chloroacetaldehyde dimethyl acetal
    • 1KPA4H9T18
    • 2,2-DIMETHOXYETHYL CHLORIDE
    • EINECS 202-624-0
    • NSC 60388
    • NSC-60388
    • 1,1-dimethoxy-2-chloroethane
    • DTXSID1059157
    • EC 202-624-0
    • RefChem:468210
    • DTXCID0049028
    • Acetaldehyde, chloro-, dimethyl acetal (8CI)
    • 202-624-0
    • Dimethylchloroacetal
    • Dimethyl chloroacetal
    • 2-Chloro-1,1-dimethoxy-ethane
    • MFCD00000948
    • chloroacetaldehyde dimethylacetal
    • 2-?chloro-?1,?1-?dimethoxy-Ethane
    • Methyl Chloroacetal
    • UNII-1KPA4H9T18
    • Chlorodimethyl acetal
    • ghl.PD_Mitscher_leg0.695
    • SCHEMBL252600
    • chloracetaldehyde dimethylacetal
    • Chloroacetaldehydedimethylacetal
    • chloroacetaldehyde-dimethylacetal
    • SCHEMBL4599821
    • CRZJPEIBPQWDGJ-UHFFFAOYSA-
    • 2-chloranyl-1,1-dimethoxy-ethane
    • chloro acetaldehyde dimethyl acetal
    • BB_SC-07093
    • NSC60388
    • BBL011494
    • STL146606
    • AKOS000121592
    • Chloroacetaldehyde dimethyl acetal, 98%
    • DA-19351
    • DB-351152
    • NS00003096
    • EN300-21149
    • A845778
    • Q27252548
    • F0001-2309
    • InChI=1/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
    • Chloroacetaldehyde dimethyl acetal, produced by Wacker Chemie AG, Burghausen, Germany, >=99.0% (GC)
    • 97-97-2

  • Applications

    2-Chloro-1,1-dimethoxyethane (CAS 97-97-2) is primarily used as an intermediate in organic synthesis, notably as a chloromethylating reagent and a precursor to chloromethylated and acetal-functionalized derivatives. It commonly serves as a building block in the preparation of pharmaceutical and agrochemical compounds, and it can contribute to polymer/plastics chemistry as a functional starting material for crosslinking or chain-branching processes. In coatings and inks, it may function as a reactive intermediate to introduce chloromethyl groups or to enable post-formulation modifications. The compound can also appear as a specialty chemical intermediate for other industrial syntheses, subject to process requirements and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 872.89
    methanol 1314.28
    isopropanol 555.54
    water 195.1
    ethyl acetate 421.38
    n-propanol 581.16
    acetone 652.13
    n-butanol 477.74
    acetonitrile 902.48
    DMF 701.3
    toluene 135.06
    isobutanol 386.51
    1,4-dioxane 793.51
    methyl acetate 469.27
    THF 918.67
    2-butanone 437.84
    n-pentanol 302.38
    sec-butanol 468.27
    n-hexane 89.07
    ethylene glycol 392.27
    NMP 735.27
    cyclohexane 234.25
    DMSO 895.47
    n-butyl acetate 226.8
    n-octanol 122.19
    chloroform 1646.09
    n-propyl acetate 230.47
    acetic acid 2188.76
    dichloromethane 1631.24
    cyclohexanone 566.06
    propylene glycol 238.32
    isopropyl acetate 183.1
    DMAc 606.04
    2-ethoxyethanol 634.99
    isopentanol 297.5
    n-heptane 103.18
    ethyl formate 389.85
    1,2-dichloroethane 716.89
    n-hexanol 226.2
    2-methoxyethanol 962.6
    isobutyl acetate 121.01
    tetrachloromethane 562.63
    n-pentyl acetate 149.97
    transcutol 679.83
    n-heptanol 123.83
    ethylbenzene 75.68
    MIBK 125.0
    2-propoxyethanol 381.57
    tert-butanol 560.17
    MTBE 346.99
    2-butoxyethanol 228.45
    propionic acid 600.28
    o-xylene 118.2
    formic acid 1403.46
    diethyl ether 550.96
    m-xylene 82.32
    p-xylene 115.68
    chlorobenzene 244.63
    dimethyl carbonate 94.56
    n-octane 33.65
    formamide 1242.86
    cyclopentanone 608.67
    2-pentanone 294.74
    anisole 190.74
    cyclopentyl methyl ether 433.19
    gamma-butyrolactone 693.45
    1-methoxy-2-propanol 462.35
    pyridine 601.34
    3-pentanone 263.52
    furfural 677.41
    n-dodecane 20.19
    diethylene glycol 388.97
    diisopropyl ether 112.06
    tert-amyl alcohol 458.77
    acetylacetone 251.34
    n-hexadecane 22.07
    acetophenone 179.43
    methyl propionate 284.93
    isopentyl acetate 169.22
    trichloroethylene 1265.89
    n-nonanol 105.49
    cyclohexanol 498.58
    benzyl alcohol 208.43
    2-ethylhexanol 156.13
    isooctanol 101.54
    dipropyl ether 241.11
    1,2-dichlorobenzene 245.33
    ethyl lactate 115.48
    propylene carbonate 312.75
    n-methylformamide 621.64
    2-pentanol 302.51
    n-pentane 127.19
    1-propoxy-2-propanol 259.69
    1-methoxy-2-propyl acetate 172.61
    2-(2-methoxypropoxy) propanol 177.68
    mesitylene 56.91
    ε-caprolactone 473.26
    p-cymene 79.48
    epichlorohydrin 733.1
    1,1,1-trichloroethane 752.58
    2-aminoethanol 512.07
    morpholine-4-carbaldehyde 667.1
    sulfolane 693.66
    2,2,4-trimethylpentane 49.4
    2-methyltetrahydrofuran 779.4
    n-hexyl acetate 169.26
    isooctane 24.35
    2-(2-butoxyethoxy)ethanol 224.22
    sec-butyl acetate 134.82
    tert-butyl acetate 164.14
    decalin 51.05
    glycerin 386.93
    diglyme 512.12
    acrylic acid 612.03
    isopropyl myristate 73.4
    n-butyric acid 620.28
    acetyl acetate 274.09
    di(2-ethylhexyl) phthalate 73.56
    ethyl propionate 194.04
    nitromethane 1519.5
    1,2-diethoxyethane 296.43
    benzonitrile 260.25
    trioctyl phosphate 54.39
    1-bromopropane 473.7
    gamma-valerolactone 671.83
    n-decanol 74.06
    triethyl phosphate 122.51
    4-methyl-2-pentanol 114.03
    propionitrile 474.58
    vinylene carbonate 318.73
    1,1,2-trichlorotrifluoroethane 713.19
    DMS 129.95
    cumene 61.73
    2-octanol 95.56
    2-hexanone 208.32
    octyl acetate 96.55
    limonene 143.12
    1,2-dimethoxyethane 729.79
    ethyl orthosilicate 125.21
    tributyl phosphate 71.99
    diacetone alcohol 210.28
    N,N-dimethylaniline 145.96
    acrylonitrile 546.59
    aniline 295.0
    1,3-propanediol 576.85
    bromobenzene 219.85
    dibromomethane 1054.57
    1,1,2,2-tetrachloroethane 951.3
    2-methyl-cyclohexyl acetate 155.83
    tetrabutyl urea 92.71
    diisobutyl methanol 91.46
    2-phenylethanol 157.33
    styrene 102.03
    dioctyl adipate 118.35
    dimethyl sulfate 175.65
    ethyl butyrate 214.05
    methyl lactate 145.43
    butyl lactate 113.05
    diethyl carbonate 152.89
    propanediol butyl ether 153.52
    triethyl orthoformate 174.08
    p-tert-butyltoluene 77.8
    methyl 4-tert-butylbenzoate 162.91
    morpholine 944.66
    tert-butylamine 408.55
    n-dodecanol 58.99
    dimethoxymethane 391.3
    ethylene carbonate 264.55
    cyrene 208.12
    2-ethoxyethyl acetate 181.56
    2-ethylhexyl acetate 146.67
    1,2,4-trichlorobenzene 302.51
    4-methylpyridine 428.6
    dibutyl ether 167.47
    2,6-dimethyl-4-heptanol 91.46
    DEF 410.63
    dimethyl isosorbide 292.04
    tetrachloroethylene 854.94
    eugenol 164.31
    triacetin 190.47
    span 80 158.4
    1,4-butanediol 266.18
    1,1-dichloroethane 699.37
    2-methyl-1-pentanol 231.98
    methyl formate 435.3
    2-methyl-1-butanol 337.29
    n-decane 37.57
    butyronitrile 447.04
    3,7-dimethyl-1-octanol 113.15
    1-chlorooctane 100.5
    1-chlorotetradecane 41.19
    n-nonane 40.64
    undecane 25.54
    tert-butylcyclohexane 45.61
    cyclooctane 61.57
    cyclopentanol 557.42
    tetrahydropyran 772.35
    tert-amyl methyl ether 279.57
    2,5,8-trioxanonane 329.69
    1-hexene 180.85
    2-isopropoxyethanol 350.06
    2,2,2-trifluoroethanol 773.56
    methyl butyrate 272.05

    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
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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