2-Methylallyl acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    820-71-3

    Molecular formula
    C6H10O2

    SMILES
    CC(=C)COC(=O)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 89.74%
    Ethereal 71.56%
    Pungent 50.7%
    Sweet 50.48%
    Rummy 47.24%
    Sharp 46.74%
    Apple 41.41%
    Banana 36.47%
    Green 34.02%
    Fresh 31.89%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.88 (weak base)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    130°C

    Flash point est.
    30.78 ˚C

  • Synonyms

    • Methallyl acetate
    • 820-71-3
    • 2-Methylallyl acetate
    • 2-methylprop-2-en-1-yl acetate
    • Methallylacetate
    • 2-methylprop-2-enyl acetate
    • 2-Methyl-2-propenyl acetate
    • 2-Propen-1-ol, 2-methyl-, acetate
    • 1-Acetoxy-2-methyl-2-propene
    • beta-Methallyl acetate
    • .beta.-Methallyl acetate
    • EINECS 212-471-1
    • MFCD00048215
    • AI3-02670
    • Acetic acid, 2-methylallylester
    • DTXSID20231511
    • SCHEMBL1034236
    • 2-Methyl-2-propenyl acetate #
    • Acetic Acid 2-Methylallyl Ester
    • DTXCID50154002
    • ALBB-015064
    • AKOS005175057
    • Acetic Acid 2-Methyl-2-propenyl Ester
    • DA-17492
    • LS-04787
    • SY053086
    • CS-0187450
    • NS00038164
    • D88456
    • Q22052652
    • 212-471-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 279.86
    methanol 406.29
    isopropanol 263.23
    water 28.02
    ethyl acetate 110.38
    n-propanol 228.41
    acetone 200.32
    n-butanol 205.53
    acetonitrile 112.8
    DMF 394.3
    toluene 43.3
    isobutanol 186.84
    1,4-dioxane 177.53
    methyl acetate 171.14
    THF 204.75
    2-butanone 187.71
    n-pentanol 149.31
    sec-butanol 254.45
    n-hexane 31.66
    ethylene glycol 154.94
    NMP 275.15
    cyclohexane 14.57
    DMSO 206.05
    n-butyl acetate 82.67
    n-octanol 134.16
    chloroform 217.46
    n-propyl acetate 69.0
    acetic acid 159.83
    dichloromethane 165.95
    cyclohexanone 156.94
    propylene glycol 235.35
    isopropyl acetate 75.94
    DMAc 468.05
    2-ethoxyethanol 219.69
    isopentanol 181.56
    n-heptane 19.92
    ethyl formate 101.71
    1,2-dichloroethane 95.18
    n-hexanol 191.28
    2-methoxyethanol 359.0
    isobutyl acetate 59.63
    tetrachloromethane 42.55
    n-pentyl acetate 68.03
    transcutol 360.71
    n-heptanol 96.34
    ethylbenzene 52.99
    MIBK 100.51
    2-propoxyethanol 272.67
    tert-butanol 323.59
    MTBE 193.96
    2-butoxyethanol 153.64
    propionic acid 172.41
    o-xylene 56.97
    formic acid 104.0
    diethyl ether 112.45
    m-xylene 49.48
    p-xylene 70.85
    chlorobenzene 55.09
    dimethyl carbonate 57.78
    n-octane 11.97
    formamide 79.49
    cyclopentanone 177.23
    2-pentanone 123.65
    anisole 117.78
    cyclopentyl methyl ether 111.45
    gamma-butyrolactone 163.69
    1-methoxy-2-propanol 323.08
    pyridine 101.09
    3-pentanone 103.01
    furfural 187.61
    n-dodecane 13.2
    diethylene glycol 238.71
    diisopropyl ether 42.95
    tert-amyl alcohol 304.52
    acetylacetone 124.68
    n-hexadecane 13.78
    acetophenone 113.63
    methyl propionate 115.83
    isopentyl acetate 96.04
    trichloroethylene 184.72
    n-nonanol 110.23
    cyclohexanol 134.28
    benzyl alcohol 109.08
    2-ethylhexanol 110.77
    isooctanol 81.96
    dipropyl ether 72.22
    1,2-dichlorobenzene 65.85
    ethyl lactate 87.93
    propylene carbonate 117.17
    n-methylformamide 154.36
    2-pentanol 151.53
    n-pentane 23.17
    1-propoxy-2-propanol 196.3
    1-methoxy-2-propyl acetate 114.99
    2-(2-methoxypropoxy) propanol 200.74
    mesitylene 35.71
    ε-caprolactone 146.54
    p-cymene 43.98
    epichlorohydrin 174.71
    1,1,1-trichloroethane 116.24
    2-aminoethanol 219.0
    morpholine-4-carbaldehyde 292.6
    sulfolane 204.88
    2,2,4-trimethylpentane 22.28
    2-methyltetrahydrofuran 183.57
    n-hexyl acetate 137.13
    isooctane 14.88
    2-(2-butoxyethoxy)ethanol 205.1
    sec-butyl acetate 63.61
    tert-butyl acetate 99.59
    decalin 20.46
    glycerin 272.92
    diglyme 284.18
    acrylic acid 146.32
    isopropyl myristate 64.0
    n-butyric acid 158.17
    acetyl acetate 65.96
    di(2-ethylhexyl) phthalate 75.51
    ethyl propionate 74.66
    nitromethane 197.16
    1,2-diethoxyethane 101.13
    benzonitrile 90.45
    trioctyl phosphate 55.56
    1-bromopropane 86.88
    gamma-valerolactone 227.61
    n-decanol 85.12
    triethyl phosphate 54.87
    4-methyl-2-pentanol 108.22
    propionitrile 108.4
    vinylene carbonate 113.56
    1,1,2-trichlorotrifluoroethane 220.25
    DMS 99.69
    cumene 51.6
    2-octanol 80.9
    2-hexanone 104.13
    octyl acetate 84.51
    limonene 58.64
    1,2-dimethoxyethane 276.11
    ethyl orthosilicate 57.09
    tributyl phosphate 63.64
    diacetone alcohol 184.28
    N,N-dimethylaniline 116.07
    acrylonitrile 122.45
    aniline 79.24
    1,3-propanediol 223.01
    bromobenzene 48.08
    dibromomethane 112.6
    1,1,2,2-tetrachloroethane 182.89
    2-methyl-cyclohexyl acetate 89.86
    tetrabutyl urea 88.9
    diisobutyl methanol 69.86
    2-phenylethanol 114.89
    styrene 55.61
    dioctyl adipate 88.19
    dimethyl sulfate 109.96
    ethyl butyrate 70.38
    methyl lactate 122.88
    butyl lactate 91.23
    diethyl carbonate 54.62
    propanediol butyl ether 205.76
    triethyl orthoformate 62.37
    p-tert-butyltoluene 43.52
    methyl 4-tert-butylbenzoate 131.83
    morpholine 210.32
    tert-butylamine 192.25
    n-dodecanol 66.23
    dimethoxymethane 174.96
    ethylene carbonate 81.81
    cyrene 155.84
    2-ethoxyethyl acetate 91.49
    2-ethylhexyl acetate 74.41
    1,2,4-trichlorobenzene 91.19
    4-methylpyridine 134.64
    dibutyl ether 80.54
    2,6-dimethyl-4-heptanol 69.86
    DEF 167.64
    dimethyl isosorbide 212.93
    tetrachloroethylene 113.36
    eugenol 146.31
    triacetin 134.11
    span 80 163.4
    1,4-butanediol 124.05
    1,1-dichloroethane 132.52
    2-methyl-1-pentanol 152.18
    methyl formate 128.51
    2-methyl-1-butanol 190.27
    n-decane 20.4
    butyronitrile 107.12
    3,7-dimethyl-1-octanol 128.81
    1-chlorooctane 65.28
    1-chlorotetradecane 30.25
    n-nonane 20.42
    undecane 15.88
    tert-butylcyclohexane 28.16
    cyclooctane 8.13
    cyclopentanol 155.41
    tetrahydropyran 131.39
    tert-amyl methyl ether 162.83
    2,5,8-trioxanonane 232.09
    1-hexene 81.49
    2-isopropoxyethanol 164.12
    2,2,2-trifluoroethanol 79.95
    methyl butyrate 101.15

    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

Botanical

Name CAS Botanical Proportion
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 0.1%