2-Methylallyl propionate

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  • Identifiers

    CAS number
    20720-12-1

    Molecular formula
    C7H12O2

    SMILES
    CCC(=O)OCC(=C)C

  • Odor profile

    Fragrance
    Fruity 94.41%
    Ethereal 70.66%
    Sweet 62.76%
    Rummy 51.12%
    Apple 48.34%
    Pungent 47.48%
    Sharp 44.31%
    Pineapple 42.59%
    Banana 37.02%
    Winey 36.39%

     

    Flavor
    Fruity 81.74%
    Sweet 59.51%
    Green 39.16%
    Berry 38.27%
    Floral 35.12%
    Apple 34.83%
    Tropical 34.16%
    Pineapple 32.94%
    Spicy 30.18%
    Fresh 25.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.42 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    145°C

    Flash point

    • 38.37 ˚C est.

  • Synonyms

    • 2-Methylallyl propionate
    • 20720-12-1
    • methallyl propionate
    • EINECS 243-985-4
    • SCHEMBL1332051
    • DTXSID10174786
    • XCOWGEAIBVSRDR-UHFFFAOYSA-N
    • NS00026722

  • Applications

    2-Methylallyl propionate (CAS 20720-12-1) is primarily used as an organic synthesis intermediate and as a reactive monomer in specialized polymers and coatings. It serves as a precursor for functional esters and modified polymers in industrial formulations, including resins, coatings, and adhesives. The allyl ester functionality enables it to act as a reactive diluent or plasticizer in coatings, inks, and sealants, aiding cure and flexibility. It is encountered as a fragrance/odorant component and as a flavor-related intermediate in perfumery and fragrance applications, where certain fruity or green notes may be pursued. In addition, it can function as a processing solvent or processing aid within formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 533.46
    methanol 630.22
    isopropanol 430.11
    water 5.37
    ethyl acetate 173.6
    n-propanol 386.09
    acetone 258.96
    n-butanol 414.98
    acetonitrile 260.11
    DMF 383.55
    toluene 151.68
    isobutanol 329.42
    1,4-dioxane 407.25
    methyl acetate 230.9
    THF 446.6
    2-butanone 304.25
    n-pentanol 398.03
    sec-butanol 471.97
    n-hexane 85.42
    ethylene glycol 125.04
    NMP 333.16
    cyclohexane 72.76
    DMSO 300.48
    n-butyl acetate 316.65
    n-octanol 290.13
    chloroform 639.57
    n-propyl acetate 185.84
    acetic acid 340.31
    dichloromethane 533.49
    cyclohexanone 328.16
    propylene glycol 186.97
    isopropyl acetate 125.66
    DMAc 466.93
    2-ethoxyethanol 378.5
    isopentanol 377.64
    n-heptane 69.84
    ethyl formate 211.87
    1,2-dichloroethane 265.69
    n-hexanol 433.16
    2-methoxyethanol 449.02
    isobutyl acetate 137.86
    tetrachloromethane 106.67
    n-pentyl acetate 187.81
    transcutol 665.86
    n-heptanol 234.26
    ethylbenzene 167.0
    MIBK 164.69
    2-propoxyethanol 419.43
    tert-butanol 528.69
    MTBE 349.74
    2-butoxyethanol 292.2
    propionic acid 240.28
    o-xylene 147.76
    formic acid 144.07
    diethyl ether 224.57
    m-xylene 124.66
    p-xylene 224.85
    chlorobenzene 182.61
    dimethyl carbonate 60.27
    n-octane 37.05
    formamide 149.17
    cyclopentanone 303.2
    2-pentanone 216.61
    anisole 260.26
    cyclopentyl methyl ether 209.18
    gamma-butyrolactone 281.68
    1-methoxy-2-propanol 329.79
    pyridine 301.75
    3-pentanone 158.66
    furfural 372.21
    n-dodecane 39.64
    diethylene glycol 276.2
    diisopropyl ether 84.79
    tert-amyl alcohol 543.52
    acetylacetone 165.55
    n-hexadecane 41.8
    acetophenone 263.28
    methyl propionate 144.87
    isopentyl acetate 302.88
    trichloroethylene 486.98
    n-nonanol 239.09
    cyclohexanol 303.39
    benzyl alcohol 260.4
    2-ethylhexanol 309.48
    isooctanol 196.36
    dipropyl ether 193.34
    1,2-dichlorobenzene 179.39
    ethyl lactate 123.4
    propylene carbonate 222.72
    n-methylformamide 211.49
    2-pentanol 310.51
    n-pentane 70.44
    1-propoxy-2-propanol 337.4
    1-methoxy-2-propyl acetate 201.15
    2-(2-methoxypropoxy) propanol 323.33
    mesitylene 87.18
    ε-caprolactone 316.81
    p-cymene 135.53
    epichlorohydrin 379.63
    1,1,1-trichloroethane 282.02
    2-aminoethanol 240.41
    morpholine-4-carbaldehyde 407.42
    sulfolane 313.38
    2,2,4-trimethylpentane 55.8
    2-methyltetrahydrofuran 423.24
    n-hexyl acetate 306.36
    isooctane 38.29
    2-(2-butoxyethoxy)ethanol 360.53
    sec-butyl acetate 144.05
    tert-butyl acetate 158.62
    decalin 61.98
    glycerin 198.37
    diglyme 540.59
    acrylic acid 202.9
    isopropyl myristate 148.77
    n-butyric acid 306.27
    acetyl acetate 110.01
    di(2-ethylhexyl) phthalate 156.27
    ethyl propionate 145.41
    nitromethane 315.74
    1,2-diethoxyethane 289.97
    benzonitrile 293.94
    trioctyl phosphate 121.2
    1-bromopropane 243.38
    gamma-valerolactone 402.79
    n-decanol 184.8
    triethyl phosphate 117.74
    4-methyl-2-pentanol 198.35
    propionitrile 235.66
    vinylene carbonate 219.6
    1,1,2-trichlorotrifluoroethane 324.9
    DMS 146.71
    cumene 139.27
    2-octanol 188.99
    2-hexanone 264.03
    octyl acetate 198.51
    limonene 191.32
    1,2-dimethoxyethane 554.8
    ethyl orthosilicate 118.43
    tributyl phosphate 138.11
    diacetone alcohol 230.68
    N,N-dimethylaniline 226.03
    acrylonitrile 263.73
    aniline 178.7
    1,3-propanediol 323.22
    bromobenzene 179.5
    dibromomethane 392.42
    1,1,2,2-tetrachloroethane 426.58
    2-methyl-cyclohexyl acetate 224.4
    tetrabutyl urea 177.2
    diisobutyl methanol 159.65
    2-phenylethanol 255.93
    styrene 186.27
    dioctyl adipate 207.56
    dimethyl sulfate 92.9
    ethyl butyrate 220.04
    methyl lactate 106.22
    butyl lactate 177.61
    diethyl carbonate 157.74
    propanediol butyl ether 296.59
    triethyl orthoformate 153.15
    p-tert-butyltoluene 126.45
    methyl 4-tert-butylbenzoate 226.21
    morpholine 447.45
    tert-butylamine 394.03
    n-dodecanol 148.19
    dimethoxymethane 193.31
    ethylene carbonate 166.89
    cyrene 230.98
    2-ethoxyethyl acetate 203.62
    2-ethylhexyl acetate 252.71
    1,2,4-trichlorobenzene 228.25
    4-methylpyridine 357.87
    dibutyl ether 229.77
    2,6-dimethyl-4-heptanol 159.65
    DEF 271.21
    dimethyl isosorbide 355.85
    tetrachloroethylene 273.22
    eugenol 252.93
    triacetin 217.58
    span 80 290.94
    1,4-butanediol 205.14
    1,1-dichloroethane 314.71
    2-methyl-1-pentanol 410.49
    methyl formate 154.23
    2-methyl-1-butanol 369.97
    n-decane 56.77
    butyronitrile 311.89
    3,7-dimethyl-1-octanol 278.45
    1-chlorooctane 158.48
    1-chlorotetradecane 79.63
    n-nonane 55.77
    undecane 46.02
    tert-butylcyclohexane 73.5
    cyclooctane 29.7
    cyclopentanol 284.63
    tetrahydropyran 370.39
    tert-amyl methyl ether 293.22
    2,5,8-trioxanonane 416.4
    1-hexene 246.6
    2-isopropoxyethanol 290.34
    2,2,2-trifluoroethanol 104.73
    methyl butyrate 235.77

    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