Allyl iodide

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  • Identifiers

    CAS number
    556-56-9

    Molecular formula
    C3H5I

    SMILES
    C=CCI

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Pungent 48.66%
    Cheesy 44.14%
    Fishy 38.29%
    Alliaceous 37.85%
    Sulfurous 36.88%
    Garlic 35.97%
    Onion 32.64%
    Green 32.27%
    Radish 31.5%
    Meaty 30.72%

     

    Flavor
    Garlic 44.73%
    Onion 41.95%
    Sulfurous 38.62%
    Alliaceous 32.52%
    Mustard 29.79%
    Fishy 28.94%
    Horseradish 25.05%
    Pungent 24.09%
    Sulfur 23.93%
    Ammoniacal 23.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.79 (weak acid)

    Molecular weight
    167.98 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    96°C

    Flash point

    • 22.49 ˚C est.

  • Synonyms

    • ALLYL IODIDE
    • 556-56-9
    • 3-Iodo-1-propene
    • 3-iodoprop-1-ene
    • 3-Iodopropene
    • 1-Propene, 3-iodo-
    • 3-Iodopropylene
    • Propene, 3-iodo-
    • UN1723
    • EINECS 209-130-4
    • NSC 18588
    • UNII-46830QOA4D
    • BRN 1697594
    • 2-Propene, 1-iodo
    • 46830QOA4D
    • CH2CHCH2I
    • NSC-18588
    • ALLYL IODIDE [MI]
    • DTXSID5060302
    • 4-01-00-00761 (Beilstein Handbook Reference)
    • UN 1723
    • UN-1723
    • Allyliodide
    • 2-propenyl iodide
    • MFCD00001094
    • 3Iodopropylene
    • 3Iodopropene
    • 3Iodo1propene
    • 2Propenyl iodide
    • 3-iodo-propene
    • Propene, 3iodo
    • 1Propene, 3iodo
    • 3-iodanylprop-1-ene
    • 3-iodo-prop-1-ene
    • Allyl iodide, 98%
    • SCHEMBL13490
    • DTXCID2041913
    • NSC18588
    • Allyl iodide, stabilized with copper
    • AKOS009031385
    • Allyl Iodide - stabilized with Copper
    • BS-22308
    • DB-294384
    • I0070
    • NS00033359
    • Allyl iodide [UN1723] [Flammable liquid]
    • EN300-19803
    • 3-IODOPROPENE (STABILIZED WITH COPPER)
    • D78530
    • A830736
    • Q15311877
    • F8881-4026

  • Applications

    Allyl iodide (CAS 556-56-9) is primarily used as an electrophilic allylating reagent in organic synthesis, enabling installation of allyl groups on oxygen, nitrogen, and sulfur nucleophiles to furnish allyl ethers, amines, and thioethers. It serves as a key intermediate to prepare allyl-functional polymers and crosslinkable resins, supporting applications in coatings and adhesives. In pharmaceutical and agrochemical R&D, it is employed as a building block to introduce allyl functionality into target molecules, enabling further diversification. It also serves as a precursor to more complex allyl-containing intermediates in specialty chemical synthesis and process development. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 119.18
    methanol 91.91
    isopropanol 112.92
    water 0.7
    ethyl acetate 153.31
    n-propanol 121.1
    acetone 297.96
    n-butanol 130.43
    acetonitrile 111.62
    DMF 295.42
    toluene 172.5
    isobutanol 98.07
    1,4-dioxane 403.39
    methyl acetate 152.86
    THF 562.56
    2-butanone 238.52
    n-pentanol 122.96
    sec-butanol 117.51
    n-hexane 48.86
    ethylene glycol 37.3
    NMP 336.01
    cyclohexane 116.15
    DMSO 395.16
    n-butyl acetate 225.18
    n-octanol 123.31
    chloroform 296.02
    n-propyl acetate 149.4
    acetic acid 137.76
    dichloromethane 225.9
    cyclohexanone 357.99
    propylene glycol 48.38
    isopropyl acetate 122.44
    DMAc 290.12
    2-ethoxyethanol 185.85
    isopentanol 119.41
    n-heptane 112.25
    ethyl formate 89.45
    1,2-dichloroethane 191.24
    n-hexanol 175.82
    2-methoxyethanol 224.39
    isobutyl acetate 122.59
    tetrachloromethane 92.18
    n-pentyl acetate 156.43
    transcutol 682.62
    n-heptanol 108.17
    ethylbenzene 97.92
    MIBK 166.44
    2-propoxyethanol 255.4
    tert-butanol 164.23
    MTBE 167.54
    2-butoxyethanol 172.06
    propionic acid 96.49
    o-xylene 135.19
    formic acid 35.59
    diethyl ether 194.86
    m-xylene 129.63
    p-xylene 117.16
    chlorobenzene 163.51
    dimethyl carbonate 68.69
    n-octane 43.48
    formamide 59.52
    cyclopentanone 367.3
    2-pentanone 225.1
    anisole 187.39
    cyclopentyl methyl ether 288.45
    gamma-butyrolactone 268.57
    1-methoxy-2-propanol 194.71
    pyridine 306.89
    3-pentanone 194.5
    furfural 278.12
    n-dodecane 35.25
    diethylene glycol 178.33
    diisopropyl ether 103.96
    tert-amyl alcohol 145.73
    acetylacetone 249.49
    n-hexadecane 39.23
    acetophenone 184.84
    methyl propionate 135.27
    isopentyl acetate 197.87
    trichloroethylene 338.99
    n-nonanol 118.72
    cyclohexanol 183.16
    benzyl alcohol 139.26
    2-ethylhexanol 159.08
    isooctanol 99.32
    dipropyl ether 245.54
    1,2-dichlorobenzene 148.61
    ethyl lactate 79.69
    propylene carbonate 141.56
    n-methylformamide 100.92
    2-pentanol 118.97
    n-pentane 61.16
    1-propoxy-2-propanol 254.47
    1-methoxy-2-propyl acetate 214.7
    2-(2-methoxypropoxy) propanol 229.93
    mesitylene 99.52
    ε-caprolactone 256.6
    p-cymene 126.41
    epichlorohydrin 284.79
    1,1,1-trichloroethane 227.79
    2-aminoethanol 63.1
    morpholine-4-carbaldehyde 365.41
    sulfolane 351.84
    2,2,4-trimethylpentane 37.52
    2-methyltetrahydrofuran 368.57
    n-hexyl acetate 188.52
    isooctane 34.99
    2-(2-butoxyethoxy)ethanol 298.19
    sec-butyl acetate 123.33
    tert-butyl acetate 171.05
    decalin 56.37
    glycerin 78.66
    diglyme 460.43
    acrylic acid 89.07
    isopropyl myristate 119.84
    n-butyric acid 130.4
    acetyl acetate 112.59
    di(2-ethylhexyl) phthalate 101.45
    ethyl propionate 119.12
    nitromethane 186.92
    1,2-diethoxyethane 337.61
    benzonitrile 146.17
    trioctyl phosphate 79.42
    1-bromopropane 157.44
    gamma-valerolactone 406.66
    n-decanol 101.55
    triethyl phosphate 99.07
    4-methyl-2-pentanol 89.77
    propionitrile 106.1
    vinylene carbonate 123.57
    1,1,2-trichlorotrifluoroethane 224.68
    DMS 137.85
    cumene 80.23
    2-octanol 91.94
    2-hexanone 194.93
    octyl acetate 133.58
    limonene 201.21
    1,2-dimethoxyethane 322.02
    ethyl orthosilicate 110.15
    tributyl phosphate 91.07
    diacetone alcohol 201.89
    N,N-dimethylaniline 151.83
    acrylonitrile 108.2
    aniline 152.15
    1,3-propanediol 94.55
    bromobenzene 172.86
    dibromomethane 190.51
    1,1,2,2-tetrachloroethane 284.73
    2-methyl-cyclohexyl acetate 169.03
    tetrabutyl urea 137.95
    diisobutyl methanol 126.75
    2-phenylethanol 169.46
    styrene 118.84
    dioctyl adipate 152.44
    dimethyl sulfate 120.34
    ethyl butyrate 184.28
    methyl lactate 83.76
    butyl lactate 120.32
    diethyl carbonate 106.24
    propanediol butyl ether 165.58
    triethyl orthoformate 157.24
    p-tert-butyltoluene 128.02
    methyl 4-tert-butylbenzoate 180.9
    morpholine 370.06
    tert-butylamine 117.36
    n-dodecanol 90.91
    dimethoxymethane 202.67
    ethylene carbonate 106.19
    cyrene 204.02
    2-ethoxyethyl acetate 199.07
    2-ethylhexyl acetate 187.26
    1,2,4-trichlorobenzene 195.3
    4-methylpyridine 250.45
    dibutyl ether 192.81
    2,6-dimethyl-4-heptanol 126.75
    DEF 216.44
    dimethyl isosorbide 355.29
    tetrachloroethylene 209.34
    eugenol 177.52
    triacetin 192.37
    span 80 231.44
    1,4-butanediol 60.0
    1,1-dichloroethane 185.23
    2-methyl-1-pentanol 114.57
    methyl formate 86.16
    2-methyl-1-butanol 110.42
    n-decane 51.21
    butyronitrile 117.47
    3,7-dimethyl-1-octanol 143.45
    1-chlorooctane 110.48
    1-chlorotetradecane 64.43
    n-nonane 52.05
    undecane 40.97
    tert-butylcyclohexane 53.31
    cyclooctane 58.69
    cyclopentanol 181.89
    tetrahydropyran 387.12
    tert-amyl methyl ether 165.88
    2,5,8-trioxanonane 392.67
    1-hexene 101.68
    2-isopropoxyethanol 168.67
    2,2,2-trifluoroethanol 56.19
    methyl butyrate 148.18

    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