Ethyl 2-allylacetoacetate

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  • Identifiers

    CAS number
    610-89-9

    Molecular formula
    C9H14O3

    SMILES
    CCOC(=O)C(CC=C)C(=O)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fruity 92.96%
    Green 71.21%
    Sweet 48.02%
    Tropical 47.78%
    Pineapple 47.37%
    Apple 44.21%
    Caramellic 40.44%
    Herbal 40.31%
    Winey 38.97%
    Berry 35.56%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.89 (neutral)

    Molecular weight
    170.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point est.
    80.17 ˚C

  • Synonyms

    • Ethyl 2-acetylpent-4-enoate
    • 610-89-9
    • Ethyl 2-allylacetoacetate
    • 4-Pentenoic acid, 2-acetyl-, ethyl ester
    • 2-ACETYL-PENT-4-ENOIC ACID ETHYL ESTER
    • Ethyl 2-acetyl-4-pentenoate
    • CVP070FK35
    • Ethyl .alpha.-allylacetoacetate
    • EINECS 210-237-3
    • NSC 10814
    • NSC-10814
    • UNII-CVP070FK35
    • Ethyl 2-allyl-3-oxobutanoate
    • AI3-11071
    • DTXSID40870683
    • ETHYL 2-ALLYLACETOACETATE, (+/-)-
    • Ethyl alpha-allylacetoacetate
    • 2-Acetyl-4-pentenoic acid ethyl
    • MFCD00026877
    • Ethyl2-acetylpent-4-enoate
    • ethyl 2-allyl-3-oxo-butyrate
    • Ethyl 2-ethanoylpent-4-enoate
    • SCHEMBL3607061
    • Ethyl 2-acetyl-4-pentenoate #
    • DTXCID40818383
    • ALBB-005064
    • CS-M1708
    • NSC10814
    • BBL027912
    • STK501573
    • AKOS000321314
    • AKOS016050190
    • 84984-48-5
    • VS-08618
    • DB-014001
    • NS00042820

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 317.3
    methanol 508.92
    isopropanol 314.36
    water 2.39
    ethyl acetate 150.76
    n-propanol 279.61
    acetone 293.61
    n-butanol 267.68
    acetonitrile 199.73
    DMF 674.88
    toluene 120.62
    isobutanol 232.6
    1,4-dioxane 431.17
    methyl acetate 196.06
    THF 550.53
    2-butanone 235.65
    n-pentanol 215.26
    sec-butanol 292.68
    n-hexane 29.37
    ethylene glycol 115.07
    NMP 698.01
    cyclohexane 59.97
    DMSO 471.97
    n-butyl acetate 117.75
    n-octanol 108.84
    chloroform 578.33
    n-propyl acetate 102.04
    acetic acid 330.17
    dichloromethane 475.33
    cyclohexanone 413.3
    propylene glycol 162.52
    isopropyl acetate 104.53
    DMAc 657.24
    2-ethoxyethanol 218.79
    isopentanol 218.85
    n-heptane 14.35
    ethyl formate 162.17
    1,2-dichloroethane 277.03
    n-hexanol 208.33
    2-methoxyethanol 411.86
    isobutyl acetate 79.19
    tetrachloromethane 72.38
    n-pentyl acetate 86.54
    transcutol 366.93
    n-heptanol 82.59
    ethylbenzene 99.51
    MIBK 131.37
    2-propoxyethanol 270.51
    tert-butanol 363.6
    MTBE 179.01
    2-butoxyethanol 126.73
    propionic acid 233.81
    o-xylene 114.74
    formic acid 112.3
    diethyl ether 145.3
    m-xylene 105.94
    p-xylene 129.77
    chlorobenzene 186.86
    dimethyl carbonate 90.67
    n-octane 9.89
    formamide 120.48
    cyclopentanone 439.55
    2-pentanone 171.59
    anisole 181.02
    cyclopentyl methyl ether 227.16
    gamma-butyrolactone 463.91
    1-methoxy-2-propanol 296.57
    pyridine 292.88
    3-pentanone 146.7
    furfural 412.97
    n-dodecane 11.87
    diethylene glycol 246.82
    diisopropyl ether 49.12
    tert-amyl alcohol 322.12
    acetylacetone 199.24
    n-hexadecane 13.45
    acetophenone 182.22
    methyl propionate 161.99
    isopentyl acetate 117.49
    trichloroethylene 519.17
    n-nonanol 93.58
    cyclohexanol 320.34
    benzyl alcohol 189.97
    2-ethylhexanol 107.8
    isooctanol 72.05
    dipropyl ether 75.23
    1,2-dichlorobenzene 183.96
    ethyl lactate 100.83
    propylene carbonate 261.14
    n-methylformamide 253.05
    2-pentanol 168.9
    n-pentane 26.97
    1-propoxy-2-propanol 176.61
    1-methoxy-2-propyl acetate 139.61
    2-(2-methoxypropoxy) propanol 173.01
    mesitylene 74.02
    ε-caprolactone 320.34
    p-cymene 60.2
    epichlorohydrin 418.68
    1,1,1-trichloroethane 284.91
    2-aminoethanol 184.63
    morpholine-4-carbaldehyde 484.06
    sulfolane 605.87
    2,2,4-trimethylpentane 21.67
    2-methyltetrahydrofuran 357.46
    n-hexyl acetate 159.02
    isooctane 14.49
    2-(2-butoxyethoxy)ethanol 195.56
    sec-butyl acetate 81.85
    tert-butyl acetate 130.5
    decalin 36.76
    glycerin 208.75
    diglyme 304.89
    acrylic acid 211.65
    isopropyl myristate 69.9
    n-butyric acid 263.6
    acetyl acetate 122.04
    di(2-ethylhexyl) phthalate 89.98
    ethyl propionate 109.73
    nitromethane 382.62
    1,2-diethoxyethane 119.69
    benzonitrile 213.74
    trioctyl phosphate 64.05
    1-bromopropane 176.92
    gamma-valerolactone 496.67
    n-decanol 70.9
    triethyl phosphate 76.67
    4-methyl-2-pentanol 100.38
    propionitrile 196.9
    vinylene carbonate 250.17
    1,1,2-trichlorotrifluoroethane 350.35
    DMS 127.03
    cumene 75.68
    2-octanol 70.41
    2-hexanone 145.49
    octyl acetate 93.01
    limonene 92.31
    1,2-dimethoxyethane 379.95
    ethyl orthosilicate 68.63
    tributyl phosphate 73.62
    diacetone alcohol 197.29
    N,N-dimethylaniline 148.97
    acrylonitrile 239.87
    aniline 172.62
    1,3-propanediol 247.53
    bromobenzene 184.19
    dibromomethane 329.04
    1,1,2,2-tetrachloroethane 465.02
    2-methyl-cyclohexyl acetate 119.1
    tetrabutyl urea 108.23
    diisobutyl methanol 64.7
    2-phenylethanol 161.59
    styrene 113.67
    dioctyl adipate 107.59
    dimethyl sulfate 172.81
    ethyl butyrate 103.58
    methyl lactate 137.24
    butyl lactate 95.02
    diethyl carbonate 88.52
    propanediol butyl ether 155.41
    triethyl orthoformate 80.23
    p-tert-butyltoluene 57.37
    methyl 4-tert-butylbenzoate 153.24
    morpholine 456.99
    tert-butylamine 207.46
    n-dodecanol 56.63
    dimethoxymethane 275.98
    ethylene carbonate 200.37
    cyrene 212.92
    2-ethoxyethyl acetate 108.03
    2-ethylhexyl acetate 92.14
    1,2,4-trichlorobenzene 227.66
    4-methylpyridine 322.37
    dibutyl ether 83.44
    2,6-dimethyl-4-heptanol 64.7
    DEF 255.02
    dimethyl isosorbide 271.27
    tetrachloroethylene 270.56
    eugenol 160.43
    triacetin 146.74
    span 80 156.54
    1,4-butanediol 138.94
    1,1-dichloroethane 283.9
    2-methyl-1-pentanol 199.95
    methyl formate 216.4
    2-methyl-1-butanol 224.78
    n-decane 17.64
    butyronitrile 210.1
    3,7-dimethyl-1-octanol 105.61
    1-chlorooctane 68.95
    1-chlorotetradecane 33.4
    n-nonane 16.68
    undecane 14.16
    tert-butylcyclohexane 33.17
    cyclooctane 16.09
    cyclopentanol 322.22
    tetrahydropyran 364.88
    tert-amyl methyl ether 153.1
    2,5,8-trioxanonane 247.65
    1-hexene 98.94
    2-isopropoxyethanol 154.44
    2,2,2-trifluoroethanol 103.71
    methyl butyrate 160.49

    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