1,4-Dichlorobutane

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  • Identifiers

    CAS number
    110-56-5

    Molecular formula
    C4H8Cl2

    SMILES
    C(CCCl)CCl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 46.98%
    Cheesy 41.44%
    Waxy 39.83%
    Fatty 35.04%
    Fresh 34.12%
    Oily 33.42%
    Ripe 29.64%
    Sweet 29.57%
    Citrus 29.52%
    Floral 27.55%

     

    Flavor
    Fishy 35.57%
    Meaty 34.13%
    Ammoniacal 33.33%
    Sulfurous 32.84%
    Sulfury 26.3%
    Onion 22.56%
    Ammonia 21.34%
    Bloody 21.16%
    Glue 21.0%
    Skunky 20.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.28 (neutral)

    Molecular weight
    127.01 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -35.1 °F (NTP, 1992)

    Boiling point

    • 309 °F at 760 mmHg (NTP, 1992)

    Flash point

    • 44.85 ˚C est.
    • 104 °F (NTP, 1992)

  • Synonyms

    • 1,4-DICHLOROBUTANE
    • 110-56-5
    • Butane, 1,4-dichloro-
    • Tetramethylene chloride
    • NSC 6288
    • EINECS 203-778-1
    • UNII-8326YNM2B3
    • 8326YNM2B3
    • Tetramethylene dichloride
    • NSC-6288
    • DTXSID5021918
    • 1,4-Dichlorobutane, 99%
    • symDichlorobutane
    • NSC6288
    • Butane,4-dichloro-
    • MFCD00001011
    • 1,4-dichloro-butane
    • Butane, 1,4dichloro
    • SYM-DICHLOROBUTANE
    • 1,4-bis(chloranyl)butane
    • SCHEMBL21800
    • DTXCID401918
    • AKOS000120565
    • LS-12996
    • D0349
    • NS00021515
    • EN300-21071
    • 1,4-Dichlorobutane, puriss., >=99.0% (GC)
    • A802213
    • Q161526
    • 203-778-1

  • Applications

    1,4-Dichlorobutane (CAS 110-56-5) is a key intermediate in organic synthesis, primarily used to prepare diamines, notably 1,4-diaminobutane (putrescine), which are building blocks for polyamides and polyurethanes; it is also used as a bifunctional alkylating agent to link polymer networks or as a precursor to nitrogen-containing heterocycles and other specialty chemicals. In polymer contexts, it can act as a crosslinking or chain-extending reagent for coatings, adhesives, and elastomer formulations. Additionally, it can be used to generate quaternary ammonium salts and related surfactants or catalysts via alkylation. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 130.44
    methanol 106.32
    isopropanol 134.12
    water 0.7
    ethyl acetate 219.55
    n-propanol 160.04
    acetone 372.66
    n-butanol 178.55
    acetonitrile 232.44
    DMF 312.82
    toluene 259.25
    isobutanol 139.2
    1,4-dioxane 431.34
    methyl acetate 211.98
    THF 713.31
    2-butanone 307.68
    n-pentanol 132.02
    sec-butanol 154.3
    n-hexane 133.97
    ethylene glycol 30.59
    NMP 504.25
    cyclohexane 366.28
    DMSO 415.29
    n-butyl acetate 422.78
    n-octanol 135.8
    chloroform 986.23
    n-propyl acetate 218.52
    acetic acid 276.27
    dichloromethane 733.24
    cyclohexanone 727.5
    propylene glycol 43.36
    isopropyl acetate 152.82
    DMAc 260.82
    2-ethoxyethanol 144.59
    isopentanol 155.93
    n-heptane 255.88
    ethyl formate 162.99
    1,2-dichloroethane 448.59
    n-hexanol 210.45
    2-methoxyethanol 190.43
    isobutyl acetate 156.53
    tetrachloromethane 335.22
    n-pentyl acetate 246.12
    transcutol 620.97
    n-heptanol 126.4
    ethylbenzene 148.31
    MIBK 162.32
    2-propoxyethanol 225.7
    tert-butanol 191.67
    MTBE 192.89
    2-butoxyethanol 173.35
    propionic acid 190.64
    o-xylene 178.56
    formic acid 53.38
    diethyl ether 238.25
    m-xylene 155.87
    p-xylene 222.14
    chlorobenzene 369.62
    dimethyl carbonate 71.93
    n-octane 80.5
    formamide 80.97
    cyclopentanone 689.02
    2-pentanone 267.56
    anisole 204.42
    cyclopentyl methyl ether 414.59
    gamma-butyrolactone 589.58
    1-methoxy-2-propanol 153.14
    pyridine 551.41
    3-pentanone 223.74
    furfural 565.86
    n-dodecane 42.0
    diethylene glycol 132.16
    diisopropyl ether 94.14
    tert-amyl alcohol 172.67
    acetylacetone 275.44
    n-hexadecane 48.4
    acetophenone 249.49
    methyl propionate 161.37
    isopentyl acetate 327.8
    trichloroethylene 867.15
    n-nonanol 125.54
    cyclohexanol 308.6
    benzyl alcohol 167.41
    2-ethylhexanol 216.64
    isooctanol 114.73
    dipropyl ether 382.25
    1,2-dichlorobenzene 358.24
    ethyl lactate 89.47
    propylene carbonate 345.67
    n-methylformamide 135.62
    2-pentanol 140.94
    n-pentane 123.85
    1-propoxy-2-propanol 265.2
    1-methoxy-2-propyl acetate 231.66
    2-(2-methoxypropoxy) propanol 183.85
    mesitylene 116.87
    ε-caprolactone 492.72
    p-cymene 193.65
    epichlorohydrin 493.99
    1,1,1-trichloroethane 643.34
    2-aminoethanol 60.76
    morpholine-4-carbaldehyde 405.77
    sulfolane 727.96
    2,2,4-trimethylpentane 52.98
    2-methyltetrahydrofuran 582.67
    n-hexyl acetate 263.31
    isooctane 35.85
    2-(2-butoxyethoxy)ethanol 236.54
    sec-butyl acetate 147.78
    tert-butyl acetate 180.53
    decalin 99.74
    glycerin 63.38
    diglyme 466.08
    acrylic acid 177.89
    isopropyl myristate 138.38
    n-butyric acid 279.76
    acetyl acetate 168.34
    di(2-ethylhexyl) phthalate 108.81
    ethyl propionate 166.5
    nitromethane 327.75
    1,2-diethoxyethane 372.38
    benzonitrile 314.52
    trioctyl phosphate 89.57
    1-bromopropane 373.99
    gamma-valerolactone 589.37
    n-decanol 97.23
    triethyl phosphate 155.83
    4-methyl-2-pentanol 82.02
    propionitrile 208.76
    vinylene carbonate 319.3
    1,1,2-trichlorotrifluoroethane 403.83
    DMS 173.2
    cumene 107.22
    2-octanol 109.24
    2-hexanone 247.34
    octyl acetate 157.45
    limonene 317.35
    1,2-dimethoxyethane 346.24
    ethyl orthosilicate 160.0
    tributyl phosphate 116.26
    diacetone alcohol 182.91
    N,N-dimethylaniline 166.3
    acrylonitrile 249.05
    aniline 229.46
    1,3-propanediol 99.7
    bromobenzene 403.71
    dibromomethane 624.34
    1,1,2,2-tetrachloroethane 745.17
    2-methyl-cyclohexyl acetate 245.09
    tetrabutyl urea 164.56
    diisobutyl methanol 162.6
    2-phenylethanol 193.45
    styrene 195.31
    dioctyl adipate 199.9
    dimethyl sulfate 136.64
    ethyl butyrate 322.58
    methyl lactate 82.76
    butyl lactate 164.33
    diethyl carbonate 199.19
    propanediol butyl ether 151.72
    triethyl orthoformate 248.82
    p-tert-butyltoluene 177.4
    methyl 4-tert-butylbenzoate 210.67
    morpholine 444.79
    tert-butylamine 157.42
    n-dodecanol 83.42
    dimethoxymethane 172.37
    ethylene carbonate 266.13
    cyrene 192.92
    2-ethoxyethyl acetate 235.56
    2-ethylhexyl acetate 312.04
    1,2,4-trichlorobenzene 409.05
    4-methylpyridine 468.77
    dibutyl ether 296.83
    2,6-dimethyl-4-heptanol 162.6
    DEF 274.52
    dimethyl isosorbide 367.8
    tetrachloroethylene 621.45
    eugenol 192.95
    triacetin 249.49
    span 80 224.31
    1,4-butanediol 52.42
    1,1-dichloroethane 468.3
    2-methyl-1-pentanol 122.14
    methyl formate 123.07
    2-methyl-1-butanol 152.65
    n-decane 76.16
    butyronitrile 241.82
    3,7-dimethyl-1-octanol 148.17
    1-chlorooctane 169.29
    1-chlorotetradecane 78.74
    n-nonane 86.24
    undecane 52.74
    tert-butylcyclohexane 81.91
    cyclooctane 124.19
    cyclopentanol 311.33
    tetrahydropyran 627.87
    tert-amyl methyl ether 175.88
    2,5,8-trioxanonane 339.36
    1-hexene 242.63
    2-isopropoxyethanol 125.31
    2,2,2-trifluoroethanol 109.41
    methyl butyrate 237.52

    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