1-Chloroprop-1-ene

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  • Identifiers

    CAS number
    590-21-6

    Molecular formula
    C3H5Cl

    SMILES
    CC=CCl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 66.37%
    Fruity 51.61%
    Pungent 47.37%
    Gassy 38.78%
    Fresh 36.54%
    Vegetable 34.6%
    Sharp 33.35%
    Ethereal 32.97%
    Nutty 27.01%
    Alliaceous 26.59%

     

    Flavor
    Sulfurous 26.29%
    Pungent 25.62%
    Onion 22.51%
    Garlic 21.54%
    Mustard 21.38%
    Fishy 20.76%
    Nitrile 19.76%
    Oriental 19.57%
    Bloody 19.57%
    Rotten 19.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.54 (neutral)

    Molecular weight
    76.52 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 35-36 °C

    Flash point

    • -24.92 ˚C est.
    • less than 21 °F (NFPA, 2010)
    • Flash point > -6 °C
    • greater than 21 °F (greater than -6 °C) (Closed cup)

    Solubility expt.

    • Sol in ether, acetone, sol in benzene, chloroform /cis and trans isomers/
    • Insol in water /cis and trans isomers/

  • Synonyms

    • 1-chloroprop-1-ene
    • 590-21-6
    • 1-Chloropropene
    • 1-Propene, 1-chloro-
    • Chloropropene
    • (Z)-Chloro-1-propene
    • 16136-84-8
    • DTXSID5020318
    • 1-Propenyl Chloride
    • 3-chloro-2-propene
    • D89227

  • Applications

    1-Chloroprop-1-ene (CAS 590-21-6) is primarily used as an organic synthesis intermediate to introduce the isopropenyl functionality into downstream compounds. It acts as a reactive monomer or comonomer for the preparation of specialty polymers and resins, including formulations used in coatings and adhesives. It can serve as a building block to synthesize isopropenyl esters and isopropenyl ethers via standard substitution or addition reactions. In industrial manufacturing, it is used to generate functional monomers and crosslinking agents for advanced polymer systems, with applications that depend on formulation control and regulatory compliance. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 258.49
    methanol 195.98
    isopropanol 231.6
    water 0.72
    ethyl acetate 304.58
    n-propanol 235.71
    acetone 612.19
    n-butanol 280.02
    acetonitrile 388.86
    DMF 500.11
    toluene 302.21
    isobutanol 212.22
    1,4-dioxane 524.48
    methyl acetate 340.56
    THF 735.8
    2-butanone 528.42
    n-pentanol 233.85
    sec-butanol 269.28
    n-hexane 164.62
    ethylene glycol 44.0
    NMP 641.9
    cyclohexane 231.13
    DMSO 574.51
    n-butyl acetate 608.57
    n-octanol 194.1
    chloroform 866.04
    n-propyl acetate 316.1
    acetic acid 369.23
    dichloromethane 655.03
    cyclohexanone 705.15
    propylene glycol 66.75
    isopropyl acetate 212.08
    DMAc 452.3
    2-ethoxyethanol 231.78
    isopentanol 274.39
    n-heptane 200.92
    ethyl formate 192.57
    1,2-dichloroethane 429.57
    n-hexanol 346.99
    2-methoxyethanol 273.24
    isobutyl acetate 218.75
    tetrachloromethane 309.56
    n-pentyl acetate 292.34
    transcutol 1060.65
    n-heptanol 173.95
    ethylbenzene 184.47
    MIBK 259.66
    2-propoxyethanol 343.18
    tert-butanol 354.3
    MTBE 390.27
    2-butoxyethanol 239.33
    propionic acid 236.65
    o-xylene 215.42
    formic acid 61.37
    diethyl ether 370.98
    m-xylene 195.41
    p-xylene 286.9
    chlorobenzene 373.94
    dimethyl carbonate 91.22
    n-octane 68.89
    formamide 95.89
    cyclopentanone 728.7
    2-pentanone 435.17
    anisole 298.31
    cyclopentyl methyl ether 408.34
    gamma-butyrolactone 604.64
    1-methoxy-2-propanol 230.18
    pyridine 586.09
    3-pentanone 333.9
    furfural 537.71
    n-dodecane 43.98
    diethylene glycol 194.91
    diisopropyl ether 146.16
    tert-amyl alcohol 353.5
    acetylacetone 397.67
    n-hexadecane 48.97
    acetophenone 319.65
    methyl propionate 219.86
    isopentyl acetate 465.66
    trichloroethylene 915.63
    n-nonanol 171.81
    cyclohexanol 316.65
    benzyl alcohol 215.01
    2-ethylhexanol 306.63
    isooctanol 156.31
    dipropyl ether 412.56
    1,2-dichlorobenzene 337.42
    ethyl lactate 112.11
    propylene carbonate 357.7
    n-methylformamide 191.19
    2-pentanol 238.4
    n-pentane 138.16
    1-propoxy-2-propanol 361.15
    1-methoxy-2-propyl acetate 322.72
    2-(2-methoxypropoxy) propanol 306.47
    mesitylene 146.74
    ε-caprolactone 514.18
    p-cymene 210.14
    epichlorohydrin 518.48
    1,1,1-trichloroethane 688.25
    2-aminoethanol 88.83
    morpholine-4-carbaldehyde 520.11
    sulfolane 700.38
    2,2,4-trimethylpentane 78.06
    2-methyltetrahydrofuran 668.84
    n-hexyl acetate 357.92
    isooctane 58.2
    2-(2-butoxyethoxy)ethanol 372.16
    sec-butyl acetate 214.06
    tert-butyl acetate 271.52
    decalin 99.12
    glycerin 93.94
    diglyme 671.83
    acrylic acid 211.8
    isopropyl myristate 172.13
    n-butyric acid 351.68
    acetyl acetate 210.51
    di(2-ethylhexyl) phthalate 146.68
    ethyl propionate 210.94
    nitromethane 481.04
    1,2-diethoxyethane 557.32
    benzonitrile 379.01
    trioctyl phosphate 109.18
    1-bromopropane 415.53
    gamma-valerolactone 626.93
    n-decanol 133.19
    triethyl phosphate 159.19
    4-methyl-2-pentanol 145.37
    propionitrile 300.57
    vinylene carbonate 300.9
    1,1,2-trichlorotrifluoroethane 398.38
    DMS 224.75
    cumene 139.93
    2-octanol 143.29
    2-hexanone 420.57
    octyl acetate 204.6
    limonene 339.62
    1,2-dimethoxyethane 482.63
    ethyl orthosilicate 172.01
    tributyl phosphate 147.69
    diacetone alcohol 288.43
    N,N-dimethylaniline 227.63
    acrylonitrile 348.6
    aniline 260.0
    1,3-propanediol 149.1
    bromobenzene 411.24
    dibromomethane 569.06
    1,1,2,2-tetrachloroethane 702.5
    2-methyl-cyclohexyl acetate 299.76
    tetrabutyl urea 205.92
    diisobutyl methanol 201.83
    2-phenylethanol 272.19
    styrene 244.33
    dioctyl adipate 225.64
    dimethyl sulfate 167.09
    ethyl butyrate 381.03
    methyl lactate 106.62
    butyl lactate 200.44
    diethyl carbonate 217.31
    propanediol butyl ether 236.91
    triethyl orthoformate 253.01
    p-tert-butyltoluene 195.77
    methyl 4-tert-butylbenzoate 244.59
    morpholine 540.33
    tert-butylamine 270.98
    n-dodecanol 110.12
    dimethoxymethane 235.35
    ethylene carbonate 235.16
    cyrene 232.88
    2-ethoxyethyl acetate 316.85
    2-ethylhexyl acetate 427.03
    1,2,4-trichlorobenzene 398.88
    4-methylpyridine 609.09
    dibutyl ether 347.66
    2,6-dimethyl-4-heptanol 201.83
    DEF 401.64
    dimethyl isosorbide 463.22
    tetrachloroethylene 522.99
    eugenol 242.66
    triacetin 315.83
    span 80 297.12
    1,4-butanediol 82.83
    1,1-dichloroethane 541.96
    2-methyl-1-pentanol 251.42
    methyl formate 155.37
    2-methyl-1-butanol 261.25
    n-decane 71.31
    butyronitrile 367.05
    3,7-dimethyl-1-octanol 235.85
    1-chlorooctane 194.41
    1-chlorotetradecane 86.69
    n-nonane 79.73
    undecane 53.19
    tert-butylcyclohexane 98.62
    cyclooctane 84.01
    cyclopentanol 299.55
    tetrahydropyran 658.08
    tert-amyl methyl ether 324.91
    2,5,8-trioxanonane 494.33
    1-hexene 355.02
    2-isopropoxyethanol 209.97
    2,2,2-trifluoroethanol 107.35
    methyl butyrate 325.18

    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