2-(Acetyloxy)propanal

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  • Identifiers

    CAS number
    22094-23-1

    Molecular formula
    C5H8O3

    SMILES
    CC(C=O)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 88.19%
    Ethereal 49.24%
    Caramellic 41.48%
    Green 40.79%
    Sweet 40.39%
    Sharp 37.05%
    Pungent 37.05%
    Buttery 36.59%
    Rummy 36.25%
    Apple 34.84%

     

    Flavor
    Fruity 59.6%
    Sweet 50.94%
    Creamy 45.06%
    Buttery 43.63%
    Butter 40.89%
    Pungent 38.91%
    Sharp 34.75%
    Tropical 32.44%
    Ethereal 30.71%
    Fatty 27.33%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    6.32 (neutral)

    Molecular weight
    116.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    148°C

    Flash point

    • 41.91 ˚C est.

  • Synonyms

    • 22094-23-1
    • 1-Formylethyl acetate
    • 2-(Acetyloxy)propanal
    • RefChem:935382
    • GlyTouCan:G32930YQ
    • G32930YQ
    • 244-775-5
    • 2-acetoxypropanal
    • 1-oxopropan-2-yl acetate
    • alpha-acetoxypropionaldehyde
    • 2-acetoxypropionaldehyde
    • Propanal, 2-(acetyloxy)-
    • SCHEMBL527578
    • SCHEMBL3123745
    • CHEBI:87544
    • DTXSID50944728
    • EINECS 244-775-5
    • NS00049819
    • Q27159716
    • 22094-23-1

  • Applications

    2-(Acetyloxy)propanal (CAS 22094-23-1) is primarily used as an organic intermediate in fragrance and flavor chemistry, serving as a building block for aldehyde-derived aroma compounds and related esters; in cosmetics and personal care it may be used as a fragrance intermediate under appropriate regulatory and formulation controls; in household products such as detergents and cleaners it can contribute to aroma profiles as a reactive aldehyde precursor; in industrial manufacturing it functions as a chemical intermediate for the production of specialty chemicals and polymer-related esters; in pharmaceutical synthesis it may be encountered as a synthetic intermediate under process controls; and it can also be evaluated for use in coatings or inks where aroma notes are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 192.77
    methanol 383.27
    isopropanol 123.11
    water 69.39
    ethyl acetate 158.85
    n-propanol 110.96
    acetone 298.96
    n-butanol 91.85
    acetonitrile 361.66
    DMF 667.9
    toluene 53.57
    isobutanol 76.48
    1,4-dioxane 273.83
    methyl acetate 211.65
    THF 271.58
    2-butanone 167.19
    n-pentanol 66.02
    sec-butanol 89.16
    n-hexane 13.15
    ethylene glycol 115.31
    NMP 645.35
    cyclohexane 10.74
    DMSO 624.57
    n-butyl acetate 56.97
    n-octanol 35.27
    chloroform 184.63
    n-propyl acetate 70.43
    acetic acid 411.53
    dichloromethane 301.96
    cyclohexanone 187.68
    propylene glycol 71.19
    isopropyl acetate 72.23
    DMAc 681.61
    2-ethoxyethanol 201.27
    isopentanol 76.74
    n-heptane 6.56
    ethyl formate 165.52
    1,2-dichloroethane 183.62
    n-hexanol 44.19
    2-methoxyethanol 406.83
    isobutyl acetate 37.7
    tetrachloromethane 25.33
    n-pentyl acetate 35.29
    transcutol 343.45
    n-heptanol 20.08
    ethylbenzene 33.92
    MIBK 65.63
    2-propoxyethanol 128.16
    tert-butanol 151.87
    MTBE 108.65
    2-butoxyethanol 54.58
    propionic acid 162.79
    o-xylene 50.86
    formic acid 392.08
    diethyl ether 110.72
    m-xylene 42.42
    p-xylene 46.99
    chlorobenzene 83.02
    dimethyl carbonate 84.99
    n-octane 3.43
    formamide 422.7
    cyclopentanone 244.07
    2-pentanone 115.52
    anisole 105.79
    cyclopentyl methyl ether 119.36
    gamma-butyrolactone 384.4
    1-methoxy-2-propanol 196.84
    pyridine 168.35
    3-pentanone 99.44
    furfural 417.52
    n-dodecane 3.93
    diethylene glycol 160.33
    diisopropyl ether 26.77
    tert-amyl alcohol 116.73
    acetylacetone 176.22
    n-hexadecane 4.25
    acetophenone 106.27
    methyl propionate 144.57
    isopentyl acetate 50.98
    trichloroethylene 268.36
    n-nonanol 30.02
    cyclohexanol 79.29
    benzyl alcohol 90.81
    2-ethylhexanol 28.64
    isooctanol 18.32
    dipropyl ether 37.02
    1,2-dichlorobenzene 89.88
    ethyl lactate 51.05
    propylene carbonate 171.82
    n-methylformamide 355.5
    2-pentanol 53.57
    n-pentane 11.37
    1-propoxy-2-propanol 69.5
    1-methoxy-2-propyl acetate 77.29
    2-(2-methoxypropoxy) propanol 102.5
    mesitylene 27.22
    ε-caprolactone 191.57
    p-cymene 21.33
    epichlorohydrin 320.7
    1,1,1-trichloroethane 97.92
    2-aminoethanol 134.46
    morpholine-4-carbaldehyde 536.54
    sulfolane 432.34
    2,2,4-trimethylpentane 8.2
    2-methyltetrahydrofuran 192.54
    n-hexyl acetate 63.94
    isooctane 4.23
    2-(2-butoxyethoxy)ethanol 111.68
    sec-butyl acetate 45.9
    tert-butyl acetate 79.2
    decalin 10.95
    glycerin 152.19
    diglyme 217.56
    acrylic acid 186.85
    isopropyl myristate 28.72
    n-butyric acid 142.58
    acetyl acetate 113.38
    di(2-ethylhexyl) phthalate 36.59
    ethyl propionate 81.77
    nitromethane 732.24
    1,2-diethoxyethane 87.18
    benzonitrile 119.52
    trioctyl phosphate 22.09
    1-bromopropane 79.24
    gamma-valerolactone 417.01
    n-decanol 22.5
    triethyl phosphate 41.51
    4-methyl-2-pentanol 32.21
    propionitrile 154.93
    vinylene carbonate 187.32
    1,1,2-trichlorotrifluoroethane 227.9
    DMS 90.1
    cumene 27.83
    2-octanol 17.86
    2-hexanone 72.41
    octyl acetate 35.12
    limonene 28.92
    1,2-dimethoxyethane 363.07
    ethyl orthosilicate 37.32
    tributyl phosphate 35.05
    diacetone alcohol 106.58
    N,N-dimethylaniline 84.5
    acrylonitrile 227.18
    aniline 94.38
    1,3-propanediol 169.67
    bromobenzene 76.25
    dibromomethane 153.74
    1,1,2,2-tetrachloroethane 177.34
    2-methyl-cyclohexyl acetate 48.41
    tetrabutyl urea 50.4
    diisobutyl methanol 20.6
    2-phenylethanol 54.42
    styrene 43.78
    dioctyl adipate 51.48
    dimethyl sulfate 191.88
    ethyl butyrate 56.56
    methyl lactate 94.63
    butyl lactate 37.55
    diethyl carbonate 47.96
    propanediol butyl ether 68.53
    triethyl orthoformate 44.28
    p-tert-butyltoluene 21.23
    methyl 4-tert-butylbenzoate 76.13
    morpholine 284.7
    tert-butylamine 84.69
    n-dodecanol 17.98
    dimethoxymethane 253.48
    ethylene carbonate 134.94
    cyrene 115.71
    2-ethoxyethyl acetate 67.97
    2-ethylhexyl acetate 40.32
    1,2,4-trichlorobenzene 104.68
    4-methylpyridine 212.79
    dibutyl ether 40.08
    2,6-dimethyl-4-heptanol 20.6
    DEF 220.94
    dimethyl isosorbide 165.29
    tetrachloroethylene 115.59
    eugenol 78.3
    triacetin 92.92
    span 80 64.83
    1,4-butanediol 71.79
    1,1-dichloroethane 127.41
    2-methyl-1-pentanol 62.51
    methyl formate 293.78
    2-methyl-1-butanol 74.27
    n-decane 5.89
    butyronitrile 130.78
    3,7-dimethyl-1-octanol 36.45
    1-chlorooctane 21.61
    1-chlorotetradecane 11.01
    n-nonane 5.73
    undecane 4.63
    tert-butylcyclohexane 10.63
    cyclooctane 4.57
    cyclopentanol 103.65
    tetrahydropyran 133.4
    tert-amyl methyl ether 92.21
    2,5,8-trioxanonane 173.78
    1-hexene 34.33
    2-isopropoxyethanol 105.22
    2,2,2-trifluoroethanol 174.66
    methyl butyrate 108.57

    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