1,3-Dichlorobut-2-ene

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  • Identifiers

    CAS number
    926-57-8

    Molecular formula
    C4H6Cl2

    SMILES
    CC(=CCCl)Cl

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 49.85%
    Fruity 47.95%
    Citrus 41.9%
    Fresh 39.14%
    Green 38.32%
    Herbal 36.87%
    Sweet 33.41%
    Rose 31.95%
    Grapefruit 27.92%
    Oily 27.33%

     

    Flavor
    Sulfurous 34.28%
    Onion 26.06%
    Meaty 24.3%
    Bloody 20.2%
    Glue 19.78%
    Nitrile 19.77%
    Oriental 19.47%
    Alliaceous 19.4%
    Mouldy 19.36%
    Matches 19.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.43 (neutral)

    Molecular weight
    124.99 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -75 °C

    Boiling point

    • 131 °C
    • 126 °C

    Flash point

    • 33.56 ˚C est.
    • 27 °C
    • 80 °F (CLOSED CUP)
    • 27 °C c.c.

    Solubility expt.

    • INSOL IN WATER; SOL IN MOST COMMON ORGANIC SOLVENTS
    • Soluble in acetone, benzene, ether and ethanol
    • Solubility in water: reaction

  • Synonyms

    • 1,3-Dichlorobut-2-ene
    • 2-Butene, 1,3-dichloro-
    • 926-57-8
    • 1,3-DICHLORO-2-BUTENE
    • DTXSID7027338
    • alpha-1,3-Dichloro-2-butene
    • 3-chloro-2-buten-1-yl chloride
    • AKOS028108386
    • D0351
    • NS00077585

  • Applications

    1,3-Dichlorobut-2-ene is primarily used as an organic synthesis intermediate, serving as a building block to access other chlorinated intermediates and specialty chemicals; it acts as a precursor for the synthesis of vinyl chloride–containing derivatives and for downstream transformations that yield functionalized halogenated compounds; in industrial manufacturing it may be encountered as a reactive intermediate in processes to produce polymers and polymeric additives with chlorine functionality; in coatings, inks, and adhesives sectors it can be handled as a reactive intermediate during formulation and polymerization steps; its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 431.76
    methanol 347.19
    isopropanol 384.28
    water 10.88
    ethyl acetate 494.68
    n-propanol 406.86
    acetone 747.45
    n-butanol 411.41
    acetonitrile 493.13
    DMF 623.23
    toluene 600.45
    isobutanol 324.53
    1,4-dioxane 956.6
    methyl acetate 493.79
    THF 940.65
    2-butanone 629.28
    n-pentanol 301.86
    sec-butanol 455.28
    n-hexane 169.31
    ethylene glycol 134.04
    NMP 747.71
    cyclohexane 341.64
    DMSO 489.91
    n-butyl acetate 369.91
    n-octanol 290.98
    chloroform 1517.16
    n-propyl acetate 289.51
    acetic acid 500.18
    dichloromethane 1010.73
    cyclohexanone 808.78
    propylene glycol 184.77
    isopropyl acetate 298.53
    DMAc 752.59
    2-ethoxyethanol 417.48
    isopentanol 317.46
    n-heptane 224.94
    ethyl formate 267.81
    1,2-dichloroethane 568.33
    n-hexanol 431.13
    2-methoxyethanol 540.41
    isobutyl acetate 211.99
    tetrachloromethane 478.39
    n-pentyl acetate 299.08
    transcutol 1197.51
    n-heptanol 263.89
    ethylbenzene 239.74
    MIBK 280.9
    2-propoxyethanol 552.01
    tert-butanol 489.95
    MTBE 515.36
    2-butoxyethanol 375.02
    propionic acid 346.67
    o-xylene 382.37
    formic acid 165.89
    diethyl ether 591.27
    m-xylene 353.76
    p-xylene 323.45
    chlorobenzene 469.65
    dimethyl carbonate 195.17
    n-octane 78.92
    formamide 223.0
    cyclopentanone 722.04
    2-pentanone 518.01
    anisole 443.19
    cyclopentyl methyl ether 657.12
    gamma-butyrolactone 579.62
    1-methoxy-2-propanol 458.44
    pyridine 775.5
    3-pentanone 470.48
    furfural 601.59
    n-dodecane 55.25
    diethylene glycol 388.5
    diisopropyl ether 209.86
    tert-amyl alcohol 483.64
    acetylacetone 479.57
    n-hexadecane 61.96
    acetophenone 383.32
    methyl propionate 391.78
    isopentyl acetate 302.89
    trichloroethylene 1080.96
    n-nonanol 255.14
    cyclohexanol 566.12
    benzyl alcohol 316.15
    2-ethylhexanol 303.15
    isooctanol 207.31
    dipropyl ether 436.39
    1,2-dichlorobenzene 405.03
    ethyl lactate 165.73
    propylene carbonate 359.82
    n-methylformamide 285.35
    2-pentanol 355.73
    n-pentane 211.37
    1-propoxy-2-propanol 474.08
    1-methoxy-2-propyl acetate 371.15
    2-(2-methoxypropoxy) propanol 379.97
    mesitylene 219.34
    ε-caprolactone 612.83
    p-cymene 207.51
    epichlorohydrin 677.92
    1,1,1-trichloroethane 894.29
    2-aminoethanol 226.74
    morpholine-4-carbaldehyde 750.45
    sulfolane 578.22
    2,2,4-trimethylpentane 99.3
    2-methyltetrahydrofuran 907.13
    n-hexyl acetate 389.82
    isooctane 65.33
    2-(2-butoxyethoxy)ethanol 486.43
    sec-butyl acetate 229.37
    tert-butyl acetate 335.87
    decalin 121.0
    glycerin 241.93
    diglyme 812.53
    acrylic acid 306.55
    isopropyl myristate 191.01
    n-butyric acid 436.49
    acetyl acetate 328.86
    di(2-ethylhexyl) phthalate 160.47
    ethyl propionate 272.2
    nitromethane 595.78
    1,2-diethoxyethane 557.69
    benzonitrile 367.25
    trioctyl phosphate 124.58
    1-bromopropane 494.03
    gamma-valerolactone 771.83
    n-decanol 193.23
    triethyl phosphate 170.68
    4-methyl-2-pentanol 188.63
    propionitrile 370.28
    vinylene carbonate 339.71
    1,1,2-trichlorotrifluoroethane 604.83
    DMS 266.62
    cumene 167.08
    2-octanol 211.09
    2-hexanone 344.66
    octyl acetate 234.2
    limonene 345.35
    1,2-dimethoxyethane 634.6
    ethyl orthosilicate 186.91
    tributyl phosphate 142.05
    diacetone alcohol 382.45
    N,N-dimethylaniline 329.9
    acrylonitrile 378.56
    aniline 487.84
    1,3-propanediol 283.85
    bromobenzene 499.22
    dibromomethane 774.84
    1,1,2,2-tetrachloroethane 901.71
    2-methyl-cyclohexyl acetate 275.83
    tetrabutyl urea 191.26
    diisobutyl methanol 186.0
    2-phenylethanol 341.81
    styrene 313.69
    dioctyl adipate 251.38
    dimethyl sulfate 262.4
    ethyl butyrate 320.2
    methyl lactate 214.26
    butyl lactate 218.99
    diethyl carbonate 205.56
    propanediol butyl ether 330.11
    triethyl orthoformate 264.07
    p-tert-butyltoluene 216.02
    methyl 4-tert-butylbenzoate 336.35
    morpholine 942.56
    tert-butylamine 365.96
    n-dodecanol 159.56
    dimethoxymethane 430.28
    ethylene carbonate 302.2
    cyrene 338.81
    2-ethoxyethyl acetate 375.06
    2-ethylhexyl acetate 284.1
    1,2,4-trichlorobenzene 530.43
    4-methylpyridine 722.23
    dibutyl ether 344.67
    2,6-dimethyl-4-heptanol 186.0
    DEF 546.14
    dimethyl isosorbide 560.52
    tetrachloroethylene 680.54
    eugenol 321.56
    triacetin 391.15
    span 80 395.81
    1,4-butanediol 147.79
    1,1-dichloroethane 761.67
    2-methyl-1-pentanol 275.17
    methyl formate 227.2
    2-methyl-1-butanol 361.52
    n-decane 91.61
    butyronitrile 382.75
    3,7-dimethyl-1-octanol 245.86
    1-chlorooctane 233.61
    1-chlorotetradecane 111.1
    n-nonane 98.13
    undecane 67.19
    tert-butylcyclohexane 111.02
    cyclooctane 137.83
    cyclopentanol 499.77
    tetrahydropyran 1000.17
    tert-amyl methyl ether 460.34
    2,5,8-trioxanonane 609.76
    1-hexene 319.8
    2-isopropoxyethanol 338.4
    2,2,2-trifluoroethanol 235.96
    methyl butyrate 316.98

    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