Chloroprene

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  • Identifiers

    CAS number
    126-99-8

    Molecular formula
    C4H5Cl

    SMILES
    C=CC(=C)Cl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Pungent 41.9%
    Green 34.82%
    Spicy 26.57%
    Radish 25.84%
    Herbal 24.33%
    Metallic 23.89%
    Odorless 23.37%
    Garlic 22.12%
    Fresh 21.78%
    Alliaceous 21.08%

     

    Flavor
    Nitrile 22.32%
    Mustard 21.36%
    Odorless 21.29%
    Garlic 20.69%
    Oriental 20.26%
    Ocimene 20.13%
    Mouldy 19.96%
    Matches 19.87%
    Mousy 19.57%
    Rotten 19.21%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.11 [mmHg]. Odor Threshold High: 138.0 [mmHg]. Odor threshold from AIHA

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.77 (neutral)

    Molecular weight
    88.53 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -202 °F (NTP, 1992)
    • -130 °C
    • -153 °F

    Boiling point

    • 138.9 °F at 760 mmHg (NTP, 1992)
    • 59.4 °C
    • 139 °F

    Flash point

    • -26.35 ˚C est.
    • -4 °F (NTP, 1992)
    • -4 °F
    • -20 °C (OPEN CUP)
    • -20 °C c.c.

    Solubility expt.

    • Slightly soluble (NTP, 1992)
    • Miscible in ethyl ether, acetone, and benzene; slightly soluble in water.
    • Soluble in alcohol, diethyl ether
    • Solubility in water, g/100ml at 20 °C: 0.03 (very poor)
    • Slight

  • Synonyms

    • CHLOROPRENE
    • 2-Chloro-1,3-butadiene
    • 2-Chlorobuta-1,3-diene
    • 126-99-8
    • 1,3-Butadiene, 2-chloro-
    • Chlorobutadiene
    • 2-Chlorobutadiene
    • Neoprene
    • .beta.-Chloroprene
    • Chloropreen
    • Cloroprene
    • 2-Chlor-1,3-butadien
    • beta-Chloroprene
    • Chloropren
    • 2-Chloroprene
    • 2-Cloro-1,3-butadiene
    • 2-Chloor-1,3-butadieen
    • CCRIS 873
    • NSC 18589
    • HSDB 1618
    • EINECS 204-818-0
    • UNII-42L93DWV3A
    • UN1991
    • CHEBI:39481
    • .beta.-Chlorobutadiene
    • 2-Chlorobutadiene 1,3
    • NSC-18589
    • CHLOROPRENE [HSDB]
    • CHLOROPRENE [IARC]
    • 42L93DWV3A
    • DTXSID5020316
    • Chloroprene (>96% chloroprene)
    • EC 204-818-0
    • Chloroprene (99.6% chloroprene)
    • NSC18589
    • CHLORO-1,3-BUTADIENE, 2-
    • UN 1991
    • CHLOROPRENE (IARC)
    • Chloropreen [Dutch]
    • Cloroprene [Italian]
    • CHLOROPRENE, (STABILIZED)
    • CHLOROPRENE, [STABILIZED]
    • Chloropren [German, Polish]
    • beta-Chlorobutadiene
    • 2-Chlor-1,3-butadien [German]
    • 2-Chloor-1,3-butadieen [Dutch]
    • 2-Cloro-1,3-butadiene [Italian]
    • Polychloroprenes
    • Chloroprene Polymers
    • Chloroprene, uninhibited [Forbidden]
    • 2Chloro1,3butadiene
    • Chloroprene, inhibited
    • beta-Chloroprene 2-Chloro-1,3-butadiene
    • Chloroprene, uninhibited
    • 2-chlorobutadiene-1,3
    • WLN: 1UYG1U1
    • CHLOROPRENE, STABILIZED
    • DTXCID30316
    • Chloropren(GERMAN, POLISH)
    • CHEMBL555660
    • beta-Chloroprene (ACGIH:OSHA)
    • 2-Chloro-1,3-butadiene (OSHA)
    • BCP31738
    • AKOS028108417
    • Chloroprene 5000 microg/mL in Methanol
    • MSK000181-1000M
    • NS00008234
    • Chloroprene Solution in Methanol, 1000ug/mL
    • C19208
    • C19502
    • beta-CHLOROPRENE (2-CHLORO-1,3-BUTADIENE)
    • Q410871
    • Chloroprene, inhibited [UN1991] [Flammable liquid, Poison]
    • 2-Chlorobuta-1,3-diene;2-Chloro-1,3-butadiene;1,3-Butadiene, 2-chloro-

  • Applications

    Chloroprene (CAS 126-99-8) is the key monomer for neoprene rubber (polychloroprene), an elastomer with oil, chemical and weather resistance, and it is used in several real-world applications across polymer-based products: neoprene rubber for hoses, belts, gaskets, and vibration-damping components; neoprene-based coatings, sealants, and adhesives for protective and weather-resistant surfaces; consumer and sports goods such as wetsuits and protective equipment made from neoprene; electrical insulation and cable jackets due to its dielectric and aging properties; and as a chemical intermediate in the synthesis of specialty polymers and resins for adhesives and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 101.0
    methanol 101.54
    isopropanol 77.35
    water 1.53
    ethyl acetate 145.28
    n-propanol 91.69
    acetone 135.63
    n-butanol 94.09
    acetonitrile 132.7
    DMF 159.54
    toluene 92.32
    isobutanol 61.38
    1,4-dioxane 201.99
    methyl acetate 157.47
    THF 201.84
    2-butanone 176.85
    n-pentanol 85.35
    sec-butanol 101.9
    n-hexane 24.06
    ethylene glycol 17.98
    NMP 165.79
    cyclohexane 21.01
    DMSO 99.81
    n-butyl acetate 120.67
    n-octanol 67.33
    chloroform 303.71
    n-propyl acetate 100.21
    acetic acid 92.97
    dichloromethane 224.59
    cyclohexanone 143.11
    propylene glycol 29.59
    isopropyl acetate 95.68
    DMAc 263.77
    2-ethoxyethanol 115.15
    isopentanol 84.5
    n-heptane 30.96
    ethyl formate 78.98
    1,2-dichloroethane 113.41
    n-hexanol 89.7
    2-methoxyethanol 123.55
    isobutyl acetate 65.96
    tetrachloromethane 80.16
    n-pentyl acetate 99.77
    transcutol 370.57
    n-heptanol 66.35
    ethylbenzene 64.87
    MIBK 83.64
    2-propoxyethanol 127.2
    tert-butanol 94.26
    MTBE 136.48
    2-butoxyethanol 107.48
    propionic acid 86.04
    o-xylene 82.5
    formic acid 30.96
    diethyl ether 132.06
    m-xylene 69.05
    p-xylene 88.86
    chlorobenzene 106.1
    dimethyl carbonate 45.87
    n-octane 15.07
    formamide 60.59
    cyclopentanone 151.47
    2-pentanone 128.92
    anisole 146.3
    cyclopentyl methyl ether 107.76
    gamma-butyrolactone 140.87
    1-methoxy-2-propanol 106.79
    pyridine 193.47
    3-pentanone 115.28
    furfural 176.69
    n-dodecane 11.14
    diethylene glycol 70.76
    diisopropyl ether 50.09
    tert-amyl alcohol 121.41
    acetylacetone 131.77
    n-hexadecane 12.0
    acetophenone 133.86
    methyl propionate 104.89
    isopentyl acetate 105.52
    trichloroethylene 258.93
    n-nonanol 63.99
    cyclohexanol 68.38
    benzyl alcohol 87.65
    2-ethylhexanol 77.18
    isooctanol 59.37
    dipropyl ether 99.74
    1,2-dichlorobenzene 100.99
    ethyl lactate 43.78
    propylene carbonate 92.31
    n-methylformamide 79.76
    2-pentanol 78.33
    n-pentane 23.39
    1-propoxy-2-propanol 113.5
    1-methoxy-2-propyl acetate 115.12
    2-(2-methoxypropoxy) propanol 127.49
    mesitylene 49.63
    ε-caprolactone 145.9
    p-cymene 58.32
    epichlorohydrin 177.19
    1,1,1-trichloroethane 186.64
    2-aminoethanol 45.06
    morpholine-4-carbaldehyde 200.67
    sulfolane 123.15
    2,2,4-trimethylpentane 19.73
    2-methyltetrahydrofuran 181.03
    n-hexyl acetate 116.07
    isooctane 12.92
    2-(2-butoxyethoxy)ethanol 139.84
    sec-butyl acetate 83.51
    tert-butyl acetate 108.02
    decalin 21.1
    glycerin 38.55
    diglyme 263.35
    acrylic acid 68.41
    isopropyl myristate 55.93
    n-butyric acid 106.52
    acetyl acetate 95.1
    di(2-ethylhexyl) phthalate 51.18
    ethyl propionate 88.13
    nitromethane 153.29
    1,2-diethoxyethane 184.97
    benzonitrile 110.22
    trioctyl phosphate 32.19
    1-bromopropane 102.87
    gamma-valerolactone 194.03
    n-decanol 46.32
    triethyl phosphate 57.51
    4-methyl-2-pentanol 50.21
    propionitrile 109.33
    vinylene carbonate 92.45
    1,1,2-trichlorotrifluoroethane 140.81
    DMS 83.73
    cumene 51.09
    2-octanol 53.29
    2-hexanone 119.76
    octyl acetate 67.09
    limonene 81.61
    1,2-dimethoxyethane 200.25
    ethyl orthosilicate 62.41
    tributyl phosphate 40.11
    diacetone alcohol 109.0
    N,N-dimethylaniline 113.2
    acrylonitrile 115.89
    aniline 93.44
    1,3-propanediol 61.56
    bromobenzene 107.37
    dibromomethane 153.41
    1,1,2,2-tetrachloroethane 198.64
    2-methyl-cyclohexyl acetate 90.23
    tetrabutyl urea 55.31
    diisobutyl methanol 51.94
    2-phenylethanol 94.64
    styrene 80.46
    dioctyl adipate 79.74
    dimethyl sulfate 68.9
    ethyl butyrate 112.04
    methyl lactate 46.72
    butyl lactate 64.56
    diethyl carbonate 71.66
    propanediol butyl ether 80.74
    triethyl orthoformate 86.79
    p-tert-butyltoluene 57.7
    methyl 4-tert-butylbenzoate 110.59
    morpholine 202.91
    tert-butylamine 67.97
    n-dodecanol 35.63
    dimethoxymethane 102.29
    ethylene carbonate 69.85
    cyrene 97.76
    2-ethoxyethyl acetate 131.42
    2-ethylhexyl acetate 96.14
    1,2,4-trichlorobenzene 136.45
    4-methylpyridine 188.2
    dibutyl ether 100.87
    2,6-dimethyl-4-heptanol 51.94
    DEF 160.81
    dimethyl isosorbide 196.41
    tetrachloroethylene 144.48
    eugenol 105.46
    triacetin 123.57
    span 80 99.87
    1,4-butanediol 30.07
    1,1-dichloroethane 153.35
    2-methyl-1-pentanol 91.33
    methyl formate 52.92
    2-methyl-1-butanol 83.59
    n-decane 18.31
    butyronitrile 108.36
    3,7-dimethyl-1-octanol 69.31
    1-chlorooctane 55.69
    1-chlorotetradecane 24.34
    n-nonane 17.85
    undecane 13.65
    tert-butylcyclohexane 23.73
    cyclooctane 11.95
    cyclopentanol 69.41
    tetrahydropyran 158.55
    tert-amyl methyl ether 123.67
    2,5,8-trioxanonane 201.11
    1-hexene 71.08
    2-isopropoxyethanol 94.84
    2,2,2-trifluoroethanol 41.1
    methyl butyrate 115.24

    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