2-Propenyl

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  • Identifiers

    CAS number
    1981-80-2

    Molecular formula
    C3H5

    SMILES
    C=C[CH2]

    Safety labels

  • Odor profile

    Fragrance
    Pungent 52.63%
    Odorless 36.16%
    Fishy 36.12%
    Radish 31.2%
    Garlic 30.16%
    Alliaceous 29.89%
    Cheesy 29.49%
    Sulfurous 26.99%
    Green 23.82%
    Onion 22.69%

     

    Flavor
    Garlic 33.49%
    Mustard 27.69%
    Pungent 26.3%
    Fishy 22.51%
    Ammoniacal 22.3%
    Rotten 21.78%
    Alliaceous 20.4%
    Egg 20.29%
    Formyl 20.26%
    Mousy 19.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    9.5 (weak base)

    Molecular weight
    41.07 g/mol

    Flash point

    • -82.79 ˚C est.

  • Synonyms

    • 2-Propenyl
    • 1981-80-2
    • RefChem:266381
    • Allyl radical
    • CH2CH=CH2
    • prop-1-en-3-yl
    • DTXSID70941638
    • Allyl radical

  • Applications

    2-Propenyl (prop-2-en-1-yl), CAS 1981-80-2, acts as a reactive allyl group that is widely used as a building block in organic synthesis to prepare allyl-functional monomers and polymers. In the polymers and coatings industry, it is used as a precursor to introduce crosslinkable allyl sites in resins and plastics, supporting UV-curable coatings, inks, and adhesives. It serves as an intermediate for the synthesis of various allyl-containing compounds used in specialty materials. In addition, allyl functionality enables formation of allyl ethers or esters for protecting-group strategies in synthesis, and in some cases may appear as a precursor in fragrance-related chemistry. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 502.02
    methanol 409.43
    isopropanol 418.7
    water 0.73
    ethyl acetate 213.76
    n-propanol 422.26
    acetone 344.32
    n-butanol 446.25
    acetonitrile 175.92
    DMF 272.43
    toluene 87.31
    isobutanol 290.25
    1,4-dioxane 341.65
    methyl acetate 177.65
    THF 670.55
    2-butanone 260.97
    n-pentanol 253.59
    sec-butanol 348.43
    n-hexane 215.42
    ethylene glycol 130.07
    NMP 235.66
    cyclohexane 206.69
    DMSO 354.88
    n-butyl acetate 432.64
    n-octanol 176.43
    chloroform 282.81
    n-propyl acetate 157.79
    acetic acid 353.48
    dichloromethane 228.73
    cyclohexanone 318.21
    propylene glycol 211.5
    isopropyl acetate 127.11
    DMAc 183.93
    2-ethoxyethanol 211.22
    isopentanol 289.59
    n-heptane 369.3
    ethyl formate 119.86
    1,2-dichloroethane 160.07
    n-hexanol 655.4
    2-methoxyethanol 394.63
    isobutyl acetate 115.21
    tetrachloromethane 99.38
    n-pentyl acetate 116.52
    transcutol 553.67
    n-heptanol 208.59
    ethylbenzene 50.72
    MIBK 139.03
    2-propoxyethanol 533.73
    tert-butanol 443.18
    MTBE 277.81
    2-butoxyethanol 228.79
    propionic acid 283.67
    o-xylene 57.92
    formic acid 82.51
    diethyl ether 321.46
    m-xylene 63.97
    p-xylene 61.61
    chlorobenzene 92.81
    dimethyl carbonate 56.87
    n-octane 70.96
    formamide 73.44
    cyclopentanone 374.85
    2-pentanone 245.21
    anisole 97.03
    cyclopentyl methyl ether 322.77
    gamma-butyrolactone 279.21
    1-methoxy-2-propanol 339.36
    pyridine 214.93
    3-pentanone 175.13
    furfural 200.37
    n-dodecane 37.29
    diethylene glycol 291.59
    diisopropyl ether 113.28
    tert-amyl alcohol 331.07
    acetylacetone 161.92
    n-hexadecane 38.58
    acetophenone 74.54
    methyl propionate 163.28
    isopentyl acetate 293.59
    trichloroethylene 217.32
    n-nonanol 151.15
    cyclohexanol 326.11
    benzyl alcohol 78.02
    2-ethylhexanol 392.96
    isooctanol 141.32
    dipropyl ether 540.5
    1,2-dichlorobenzene 67.35
    ethyl lactate 78.26
    propylene carbonate 160.34
    n-methylformamide 141.16
    2-pentanol 319.35
    n-pentane 197.76
    1-propoxy-2-propanol 545.16
    1-methoxy-2-propyl acetate 226.27
    2-(2-methoxypropoxy) propanol 176.41
    mesitylene 44.23
    ε-caprolactone 221.5
    p-cymene 88.82
    epichlorohydrin 250.73
    1,1,1-trichloroethane 179.13
    2-aminoethanol 233.04
    morpholine-4-carbaldehyde 236.07
    sulfolane 295.97
    2,2,4-trimethylpentane 61.61
    2-methyltetrahydrofuran 451.0
    n-hexyl acetate 164.26
    isooctane 55.26
    2-(2-butoxyethoxy)ethanol 243.64
    sec-butyl acetate 98.14
    tert-butyl acetate 143.49
    decalin 55.55
    glycerin 214.34
    diglyme 342.74
    acrylic acid 184.8
    isopropyl myristate 86.48
    n-butyric acid 364.61
    acetyl acetate 114.67
    di(2-ethylhexyl) phthalate 68.93
    ethyl propionate 128.87
    nitromethane 230.56
    1,2-diethoxyethane 250.4
    benzonitrile 89.18
    trioctyl phosphate 63.96
    1-bromopropane 215.96
    gamma-valerolactone 308.7
    n-decanol 121.63
    triethyl phosphate 78.11
    4-methyl-2-pentanol 151.66
    propionitrile 183.63
    vinylene carbonate 113.92
    1,1,2-trichlorotrifluoroethane 216.18
    DMS 91.73
    cumene 40.93
    2-octanol 116.8
    2-hexanone 198.75
    octyl acetate 110.6
    limonene 186.78
    1,2-dimethoxyethane 312.15
    ethyl orthosilicate 86.87
    tributyl phosphate 75.94
    diacetone alcohol 193.2
    N,N-dimethylaniline 71.26
    acrylonitrile 147.34
    aniline 121.47
    1,3-propanediol 285.88
    bromobenzene 86.46
    dibromomethane 217.69
    1,1,2,2-tetrachloroethane 188.5
    2-methyl-cyclohexyl acetate 152.96
    tetrabutyl urea 103.75
    diisobutyl methanol 191.27
    2-phenylethanol 148.24
    styrene 66.25
    dioctyl adipate 108.65
    dimethyl sulfate 70.44
    ethyl butyrate 253.51
    methyl lactate 97.31
    butyl lactate 112.49
    diethyl carbonate 123.03
    propanediol butyl ether 192.29
    triethyl orthoformate 162.49
    p-tert-butyltoluene 90.94
    methyl 4-tert-butylbenzoate 96.49
    morpholine 415.06
    tert-butylamine 325.16
    n-dodecanol 102.3
    dimethoxymethane 211.96
    ethylene carbonate 108.63
    cyrene 92.26
    2-ethoxyethyl acetate 114.18
    2-ethylhexyl acetate 242.9
    1,2,4-trichlorobenzene 76.86
    4-methylpyridine 171.15
    dibutyl ether 245.89
    2,6-dimethyl-4-heptanol 191.27
    DEF 198.85
    dimethyl isosorbide 218.16
    tetrachloroethylene 147.25
    eugenol 98.63
    triacetin 123.95
    span 80 215.63
    1,4-butanediol 118.78
    1,1-dichloroethane 195.69
    2-methyl-1-pentanol 180.82
    methyl formate 94.65
    2-methyl-1-butanol 283.29
    n-decane 61.66
    butyronitrile 228.81
    3,7-dimethyl-1-octanol 176.22
    1-chlorooctane 113.65
    1-chlorotetradecane 51.77
    n-nonane 74.74
    undecane 45.49
    tert-butylcyclohexane 62.1
    cyclooctane 79.75
    cyclopentanol 372.11
    tetrahydropyran 485.99
    tert-amyl methyl ether 208.14
    2,5,8-trioxanonane 258.26
    1-hexene 312.52
    2-isopropoxyethanol 154.57
    2,2,2-trifluoroethanol 77.15
    methyl butyrate 166.27

    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