1,3-Dichloropropene

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  • Identifiers

    CAS number
    542-75-6

    Molecular formula
    C3H4Cl2

    SMILES
    C(C=CCl)Cl

  • Odor profile

    Fragrance
    Green 45.73%
    Pungent 36.22%
    Fishy 31.98%
    Fruity 31.48%
    Vegetable 29.7%
    Cheesy 29.18%
    Meaty 27.2%
    Fatty 26.61%
    Metallic 26.34%
    Sulfurous 26.08%

     

    Flavor
    Sulfurous 32.39%
    Onion 24.82%
    Alliaceous 22.48%
    Fishy 21.57%
    Ammoniacal 21.53%
    Garlic 21.45%
    Nitrile 20.48%
    Bloody 19.53%
    Glue 19.43%
    Meaty 19.14%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor Threshold Low: 1.0 [mmHg]. Odor Threshold High: 3.0 [mmHg]. Odor thresholds (detection) from CHEMINFO

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.0 (neutral)

    Molecular weight
    110.97 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    108°C

    Flash point

    • 28.67 ˚C est.

  • Synonyms

    • 1,3-DICHLOROPROPENE
    • 542-75-6
    • 1,3-Dichloro-1-propene
    • 1, 3-Dichloropropene
    • DTXSID1022057
    • 1,3 dichloropropene
    • 1,3-dichioropropene
    • Telone II, technical grade (without epichlorohydrin)
    • Telone II, technical grade (with 1% epichlorohydrin)
    • 1,3-dichloro-prop-1-ene
    • CHEMBL3561804
    • cis-/trans-1,3-Dichloropropene
    • 1,3-Dichloropropene (cis+trans)
    • UOORRWUZONOOLO-UHFFFAOYSA-N
    • AKOS025117018
    • DB-354178
    • D0405
    • NS00007908

  • Applications

    1,3-Dichloropropene (CAS 542-75-6) is primarily used as a soil fumigant and nematicide in agriculture, helping control nematodes and soil-borne pests and improve crop yields. It also serves as an intermediate and building block in the synthesis of other chlorinated organic compounds and agrochemical intermediates, supporting the production of pesticides and related industrial chemicals. In industrial manufacturing, it is used as a building block for the preparation of specialty chemicals and other chlorinated organics. In research and development contexts, it is viewed as a precursor for the synthesis of chlorinated compounds with potential industrial applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 225.63
    methanol 213.16
    isopropanol 179.76
    water 4.36
    ethyl acetate 211.61
    n-propanol 196.52
    acetone 667.7
    n-butanol 213.12
    acetonitrile 339.14
    DMF 683.81
    toluene 297.02
    isobutanol 170.69
    1,4-dioxane 528.93
    methyl acetate 289.76
    THF 699.32
    2-butanone 446.4
    n-pentanol 185.26
    sec-butanol 195.01
    n-hexane 68.2
    ethylene glycol 73.91
    NMP 711.53
    cyclohexane 162.52
    DMSO 747.83
    n-butyl acetate 354.49
    n-octanol 144.42
    chloroform 697.36
    n-propyl acetate 245.2
    acetic acid 408.46
    dichloromethane 633.05
    cyclohexanone 610.24
    propylene glycol 79.45
    isopropyl acetate 152.36
    DMAc 596.1
    2-ethoxyethanol 264.27
    isopentanol 198.53
    n-heptane 131.38
    ethyl formate 167.37
    1,2-dichloroethane 436.89
    n-hexanol 219.1
    2-methoxyethanol 317.88
    isobutyl acetate 178.28
    tetrachloromethane 203.2
    n-pentyl acetate 201.99
    transcutol 998.68
    n-heptanol 125.5
    ethylbenzene 151.64
    MIBK 213.43
    2-propoxyethanol 302.91
    tert-butanol 261.71
    MTBE 261.18
    2-butoxyethanol 212.16
    propionic acid 198.73
    o-xylene 216.55
    formic acid 110.67
    diethyl ether 276.68
    m-xylene 188.56
    p-xylene 228.4
    chlorobenzene 313.53
    dimethyl carbonate 108.76
    n-octane 40.76
    formamide 172.61
    cyclopentanone 616.79
    2-pentanone 340.27
    anisole 277.86
    cyclopentyl methyl ether 372.28
    gamma-butyrolactone 479.08
    1-methoxy-2-propanol 241.04
    pyridine 612.67
    3-pentanone 295.02
    furfural 533.5
    n-dodecane 29.92
    diethylene glycol 234.02
    diisopropyl ether 109.19
    tert-amyl alcohol 228.74
    acetylacetone 352.76
    n-hexadecane 33.78
    acetophenone 304.87
    methyl propionate 199.64
    isopentyl acetate 292.47
    trichloroethylene 848.86
    n-nonanol 128.85
    cyclohexanol 288.46
    benzyl alcohol 214.8
    2-ethylhexanol 203.51
    isooctanol 113.44
    dipropyl ether 311.87
    1,2-dichlorobenzene 267.47
    ethyl lactate 111.66
    propylene carbonate 239.51
    n-methylformamide 245.15
    2-pentanol 168.06
    n-pentane 76.71
    1-propoxy-2-propanol 298.84
    1-methoxy-2-propyl acetate 252.0
    2-(2-methoxypropoxy) propanol 267.82
    mesitylene 129.18
    ε-caprolactone 389.65
    p-cymene 167.87
    epichlorohydrin 509.99
    1,1,1-trichloroethane 514.69
    2-aminoethanol 115.08
    morpholine-4-carbaldehyde 607.62
    sulfolane 580.88
    2,2,4-trimethylpentane 46.68
    2-methyltetrahydrofuran 531.91
    n-hexyl acetate 239.85
    isooctane 33.05
    2-(2-butoxyethoxy)ethanol 343.06
    sec-butyl acetate 170.47
    tert-butyl acetate 199.67
    decalin 64.94
    glycerin 120.18
    diglyme 633.23
    acrylic acid 209.44
    isopropyl myristate 121.2
    n-butyric acid 236.94
    acetyl acetate 153.1
    di(2-ethylhexyl) phthalate 112.54
    ethyl propionate 170.71
    nitromethane 512.97
    1,2-diethoxyethane 450.89
    benzonitrile 307.97
    trioctyl phosphate 83.8
    1-bromopropane 295.39
    gamma-valerolactone 589.83
    n-decanol 102.86
    triethyl phosphate 132.26
    4-methyl-2-pentanol 111.88
    propionitrile 239.49
    vinylene carbonate 235.63
    1,1,2-trichlorotrifluoroethane 409.28
    DMS 177.74
    cumene 112.88
    2-octanol 99.99
    2-hexanone 324.92
    octyl acetate 144.74
    limonene 267.45
    1,2-dimethoxyethane 517.55
    ethyl orthosilicate 140.21
    tributyl phosphate 109.61
    diacetone alcohol 239.47
    N,N-dimethylaniline 239.24
    acrylonitrile 291.85
    aniline 270.3
    1,3-propanediol 155.83
    bromobenzene 332.05
    dibromomethane 481.94
    1,1,2,2-tetrachloroethane 636.71
    2-methyl-cyclohexyl acetate 228.02
    tetrabutyl urea 178.21
    diisobutyl methanol 149.69
    2-phenylethanol 228.39
    styrene 213.5
    dioctyl adipate 177.8
    dimethyl sulfate 191.06
    ethyl butyrate 276.57
    methyl lactate 114.36
    butyl lactate 152.1
    diethyl carbonate 165.03
    propanediol butyl ether 208.32
    triethyl orthoformate 209.82
    p-tert-butyltoluene 152.58
    methyl 4-tert-butylbenzoate 219.35
    morpholine 542.88
    tert-butylamine 189.24
    n-dodecanol 88.96
    dimethoxymethane 298.51
    ethylene carbonate 191.75
    cyrene 247.63
    2-ethoxyethyl acetate 258.97
    2-ethylhexyl acetate 270.05
    1,2,4-trichlorobenzene 344.29
    4-methylpyridine 532.28
    dibutyl ether 239.63
    2,6-dimethyl-4-heptanol 149.69
    DEF 394.81
    dimethyl isosorbide 418.31
    tetrachloroethylene 492.13
    eugenol 228.95
    triacetin 252.46
    span 80 247.78
    1,4-butanediol 99.06
    1,1-dichloroethane 420.02
    2-methyl-1-pentanol 183.18
    methyl formate 198.45
    2-methyl-1-butanol 188.83
    n-decane 46.09
    butyronitrile 255.47
    3,7-dimethyl-1-octanol 160.22
    1-chlorooctane 126.69
    1-chlorotetradecane 65.54
    n-nonane 48.35
    undecane 35.64
    tert-butylcyclohexane 56.78
    cyclooctane 58.55
    cyclopentanol 276.35
    tetrahydropyran 591.85
    tert-amyl methyl ether 233.42
    2,5,8-trioxanonane 491.16
    1-hexene 178.93
    2-isopropoxyethanol 223.04
    2,2,2-trifluoroethanol 138.66
    methyl butyrate 249.27

    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