Allyl chloride

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  • Identifiers

    CAS number
    107-05-1

    Molecular formula
    C3H5Cl

    SMILES
    C=CCCl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Pungent 45.63%
    Green 39.71%
    Cheesy 39.54%
    Fruity 37.42%
    Gassy 36.13%
    Fishy 32.73%
    Alliaceous 32.47%
    Sharp 28.66%
    Vegetable 27.78%
    Ethereal 27.31%

     

    Flavor
    Garlic 41.69%
    Onion 39.73%
    Sulfurous 37.05%
    Alliaceous 32.15%
    Fishy 27.51%
    Mustard 27.38%
    Horseradish 23.41%
    Ammoniacal 23.23%
    Sulfur 23.13%
    Roasted 22.01%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor Threshold Low: 0.48 [mmHg]. Odor Threshold High: 5.9 [mmHg]. Odor threshold from AIHA
    • Recognition of allyl chloride in air was at 4.70x10-1 ppm.

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.84 (neutral)

    Molecular weight
    76.52 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -210.1 °F (NTP, 1992)
    • -134.5 °C
    • -135 °C
    • -210 °F

    Boiling point

    • 113 °F at 760 mmHg (NTP, 1992)
    • 44-45 °C
    • 45 °C
    • 113 °F

    Flash point

    • -24.69 ˚C est.
    • -25 °F (NTP, 1992)
    • Flash point equals -25 ° F
    • -28.9 °C (OPEN CUP); -31.7 °C (CLOSED CUP)
    • -32 °C c.c.
    • -25 °F

    Solubility expt.

    • 1 to 10 mg/mL at 66 °F (NTP, 1992)
    • Miscible with alcohol, chloroform, ether, petrol ether
    • In water, 3,370 mg/L at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.36
    • 0.4%

  • Synonyms

    • ALLYL CHLORIDE
    • 107-05-1
    • 3-Chloro-1-propene
    • 3-chloroprop-1-ene
    • 1-Propene, 3-chloro-
    • 3-Chloropropene
    • 3-Chloropropylene
    • Chlorallylene
    • Allylchlorid
    • 2-Propenyl chloride
    • 1-Chloro-2-propene
    • allylchloride
    • Chloroallylene
    • 3-Chloropropene-1
    • 3-Chlorpropen
    • Propene, 3-chloro-
    • 3-Chloro-1-propylene
    • Chloro-2-propene
    • alpha-Chloropropylene
    • NCI-C04615
    • p-Aminopropiofenon
    • CCRIS 19
    • Allile (cloruro di)
    • NSC 20939
    • Allyle (chlorure d')
    • HSDB 178
    • UNII-V2RFT0R50S
    • EINECS 203-457-6
    • V2RFT0R50S
    • Allile(cloruro di)
    • 1-Chloropropene-2
    • BRN 0635704
    • Allyle(chlorure d')
    • DTXSID4039231
    • NSC-20939
    • DTXCID4045
    • CHEBI:82379
    • EC 203-457-6
    • 4-01-00-00738 (Beilstein Handbook Reference)
    • ALLYL CHLORIDE (IARC)
    • ALLYL CHLORIDE [IARC]
    • Allylchlorid [German]
    • 3-Chlorpropen [German]
    • 3-Chloroprene
    • p-Aminopropiofenon [Czech]
    • 1-chloro propene-2
    • Allile (cloruro di) [Italian]
    • Allyle (chlorure d') [French]
    • UN1100
    • allyl-chloride
    • 3-Chloro propene
    • MFCD00000984
    • .alpha.-Chloropropylene
    • CH2=CHCH2Cl
    • ALLYL CHLORIDE [MI]
    • WLN: G2U1
    • ALLYL CHLORIDE [HSDB]
    • CHEMBL451126
    • 3-Chloro-1-propene;Chlorallylene
    • NSC20939
    • STR01272
    • Tox21_200824
    • Allyl chloride, reagent grade, 98%
    • STL283938
    • AKOS000119803
    • Allyl chloride, ReagentPlus(R), 99%
    • FA34668
    • UN 1100
    • 3-Chloro-1-propene, analytical standard
    • NCGC00091097-01
    • NCGC00091097-02
    • NCGC00258378-01
    • CAS-107-05-1
    • DB-029431
    • NS00009093
    • EN300-19790
    • Allyl chloride [UN1100] [Flammable liquid]
    • C19316
    • InChI=1/C3H5Cl/c1-2-3-4/h2H,1,3H
    • Q420473
    • F1908-0072
    • 203-457-6
    • 28412-31-9

  • Applications

    Allyl chloride (CAS 107-05-1) is a reactive alkylating agent used to introduce allyl functionality into molecules. Real-world applications include: (1) alkylation of alcohols and phenols to form allyl ethers, serving as protecting groups in organic synthesis; (2) synthesis of allyl-substituted amines via SN2 substitution; (3) preparation of quaternary ammonium salts by reaction with tertiary amines for use in specialty surfactants and cleaners; (4) a building block in polymer chemistry to functionalize polymers and enable crosslinking in coatings, inks, and adhesives; (5) an intermediate in the synthesis of allyl derivatives for pharmaceutical and agrochemical manufacturing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.2
    methanol 154.64
    isopropanol 124.56
    water 1.35
    ethyl acetate 110.59
    n-propanol 132.7
    acetone 245.83
    n-butanol 149.96
    acetonitrile 132.85
    DMF 242.19
    toluene 90.38
    isobutanol 112.14
    1,4-dioxane 215.42
    methyl acetate 130.75
    THF 318.01
    2-butanone 198.7
    n-pentanol 119.35
    sec-butanol 126.51
    n-hexane 57.44
    ethylene glycol 45.17
    NMP 272.54
    cyclohexane 92.24
    DMSO 302.85
    n-butyl acetate 282.02
    n-octanol 97.87
    chloroform 286.66
    n-propyl acetate 133.28
    acetic acid 242.51
    dichloromethane 233.43
    cyclohexanone 280.22
    propylene glycol 56.14
    isopropyl acetate 79.91
    DMAc 213.8
    2-ethoxyethanol 136.13
    isopentanol 135.96
    n-heptane 105.2
    ethyl formate 83.76
    1,2-dichloroethane 161.88
    n-hexanol 201.44
    2-methoxyethanol 180.32
    isobutyl acetate 100.9
    tetrachloromethane 87.15
    n-pentyl acetate 128.72
    transcutol 629.78
    n-heptanol 92.15
    ethylbenzene 63.03
    MIBK 104.92
    2-propoxyethanol 209.72
    tert-butanol 163.83
    MTBE 141.67
    2-butoxyethanol 139.13
    propionic acid 127.1
    o-xylene 78.06
    formic acid 56.95
    diethyl ether 141.43
    m-xylene 63.84
    p-xylene 94.26
    chlorobenzene 123.72
    dimethyl carbonate 38.79
    n-octane 29.52
    formamide 66.93
    cyclopentanone 274.95
    2-pentanone 158.89
    anisole 113.58
    cyclopentyl methyl ether 162.42
    gamma-butyrolactone 226.82
    1-methoxy-2-propanol 136.61
    pyridine 227.9
    3-pentanone 127.15
    furfural 236.62
    n-dodecane 20.17
    diethylene glycol 143.6
    diisopropyl ether 54.38
    tert-amyl alcohol 154.97
    acetylacetone 149.76
    n-hexadecane 22.13
    acetophenone 125.02
    methyl propionate 88.52
    isopentyl acetate 213.72
    trichloroethylene 307.08
    n-nonanol 87.84
    cyclohexanol 161.63
    benzyl alcohol 95.55
    2-ethylhexanol 165.98
    isooctanol 80.75
    dipropyl ether 211.51
    1,2-dichlorobenzene 111.57
    ethyl lactate 62.13
    propylene carbonate 137.54
    n-methylformamide 98.57
    2-pentanol 113.66
    n-pentane 54.77
    1-propoxy-2-propanol 217.3
    1-methoxy-2-propyl acetate 158.77
    2-(2-methoxypropoxy) propanol 181.72
    mesitylene 49.08
    ε-caprolactone 204.18
    p-cymene 94.45
    epichlorohydrin 209.36
    1,1,1-trichloroethane 187.88
    2-aminoethanol 74.25
    morpholine-4-carbaldehyde 246.85
    sulfolane 285.12
    2,2,4-trimethylpentane 31.3
    2-methyltetrahydrofuran 252.58
    n-hexyl acetate 159.05
    isooctane 22.18
    2-(2-butoxyethoxy)ethanol 222.47
    sec-butyl acetate 90.42
    tert-butyl acetate 104.3
    decalin 37.73
    glycerin 78.02
    diglyme 363.73
    acrylic acid 118.96
    isopropyl myristate 79.61
    n-butyric acid 176.53
    acetyl acetate 76.93
    di(2-ethylhexyl) phthalate 73.32
    ethyl propionate 87.54
    nitromethane 219.47
    1,2-diethoxyethane 259.12
    benzonitrile 132.8
    trioctyl phosphate 57.27
    1-bromopropane 143.15
    gamma-valerolactone 268.17
    n-decanol 68.93
    triethyl phosphate 78.91
    4-methyl-2-pentanol 73.33
    propionitrile 115.8
    vinylene carbonate 120.5
    1,1,2-trichlorotrifluoroethane 189.68
    DMS 97.5
    cumene 53.24
    2-octanol 68.72
    2-hexanone 173.13
    octyl acetate 95.78
    limonene 159.11
    1,2-dimethoxyethane 239.69
    ethyl orthosilicate 83.98
    tributyl phosphate 73.0
    diacetone alcohol 138.4
    N,N-dimethylaniline 95.04
    acrylonitrile 127.76
    aniline 110.09
    1,3-propanediol 105.02
    bromobenzene 118.81
    dibromomethane 201.23
    1,1,2,2-tetrachloroethane 245.16
    2-methyl-cyclohexyl acetate 145.21
    tetrabutyl urea 110.78
    diisobutyl methanol 103.92
    2-phenylethanol 130.3
    styrene 82.97
    dioctyl adipate 119.44
    dimethyl sulfate 71.0
    ethyl butyrate 182.21
    methyl lactate 60.18
    butyl lactate 103.03
    diethyl carbonate 104.08
    propanediol butyl ether 144.12
    triethyl orthoformate 132.73
    p-tert-butyltoluene 88.62
    methyl 4-tert-butylbenzoate 122.63
    morpholine 236.85
    tert-butylamine 120.2
    n-dodecanol 59.44
    dimethoxymethane 110.15
    ethylene carbonate 93.51
    cyrene 126.8
    2-ethoxyethyl acetate 145.48
    2-ethylhexyl acetate 193.75
    1,2,4-trichlorobenzene 133.2
    4-methylpyridine 198.35
    dibutyl ether 158.99
    2,6-dimethyl-4-heptanol 103.92
    DEF 169.09
    dimethyl isosorbide 237.47
    tetrachloroethylene 199.91
    eugenol 128.68
    triacetin 151.47
    span 80 175.81
    1,4-butanediol 58.48
    1,1-dichloroethane 160.9
    2-methyl-1-pentanol 119.86
    methyl formate 77.7
    2-methyl-1-butanol 132.65
    n-decane 31.9
    butyronitrile 135.46
    3,7-dimethyl-1-octanol 112.83
    1-chlorooctane 81.37
    1-chlorotetradecane 39.9
    n-nonane 34.4
    undecane 24.17
    tert-butylcyclohexane 38.87
    cyclooctane 32.65
    cyclopentanol 150.14
    tetrahydropyran 261.87
    tert-amyl methyl ether 127.4
    2,5,8-trioxanonane 283.6
    1-hexene 132.48
    2-isopropoxyethanol 118.13
    2,2,2-trifluoroethanol 67.43
    methyl butyrate 133.55

    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