Butyl 2-acetoxypropanoate

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  • Identifiers

    CAS number
    5422-69-5

    Molecular formula
    C9H16O4

    SMILES
    CCCCOC(=O)C(C)OC(=O)C

  • Odor profile

    Fragrance
    Fruity 93.85%
    Caramellic 54.71%
    Winey 49.18%
    Buttery 47.26%
    Sweet 45.66%
    Creamy 40.98%
    Apple 39.68%
    Fatty 36.65%
    Pineapple 36.31%
    Tropical 35.98%

     

    Flavor
    Fruity 88.43%
    Tropical 43.52%
    Sweet 41.63%
    Creamy 41.41%
    Fruit 39.08%
    Green 37.79%
    Grape 37.12%
    Berry 37.05%
    Apple 35.02%
    Pineapple 33.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.27 (neutral)

    Molecular weight
    188.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point

    • 84.85 ˚C est.

  • Synonyms

    • butyl 2-acetoxypropanoate
    • 5422-69-5
    • DTXSID20279276
    • NSC12060
    • SCHEMBL17028805
    • DTXCID50230431
    • 2-acetoxypropionic acid butyl ester
    • NSC-12060

  • Applications

    Butyl 2-acetoxypropanoate (CAS 5422-69-5) is used primarily as a fragrance and odorant component across fragrance-related applications. In perfumery, it can function as an odorant and may act as a fixative to extend fragrance longevity in formulations. In flavor applications, it may contribute fruity notes as part of aroma formulations. It is also used in cosmetics and personal care as a fragrance additive, and in household and cleaning products to impart a scent. In industrial manufacturing, the ester can serve as an intermediate in organic synthesis and as a processing aid or solvent in formulation work. Overall, common use cases span fragrance/odorant, fixative, flavor/aroma component, cosmetics/personal care, and household products, with an industrial synthesis/processing role.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1314.22
    methanol 2328.62
    isopropanol 888.53
    water 6.66
    ethyl acetate 715.8
    n-propanol 854.59
    acetone 1423.85
    n-butanol 761.96
    acetonitrile 1092.69
    DMF 2033.74
    toluene 388.92
    isobutanol 648.32
    1,4-dioxane 1343.34
    methyl acetate 712.96
    THF 1311.6
    2-butanone 778.02
    n-pentanol 566.07
    sec-butanol 782.06
    n-hexane 56.08
    ethylene glycol 295.84
    NMP 1618.61
    cyclohexane 102.67
    DMSO 2232.89
    n-butyl acetate 507.33
    n-octanol 152.31
    chloroform 1486.06
    n-propyl acetate 420.95
    acetic acid 2431.07
    dichloromethane 1611.6
    cyclohexanone 1153.45
    propylene glycol 275.26
    isopropyl acetate 437.1
    DMAc 1775.84
    2-ethoxyethanol 934.82
    isopentanol 651.86
    n-heptane 17.45
    ethyl formate 696.16
    1,2-dichloroethane 1092.67
    n-hexanol 363.26
    2-methoxyethanol 1533.3
    isobutyl acetate 271.07
    tetrachloromethane 173.61
    n-pentyl acetate 258.92
    transcutol 1698.01
    n-heptanol 134.57
    ethylbenzene 243.58
    MIBK 360.04
    2-propoxyethanol 652.83
    tert-butanol 1109.88
    MTBE 744.23
    2-butoxyethanol 326.45
    propionic acid 759.45
    o-xylene 286.04
    formic acid 1058.94
    diethyl ether 622.39
    m-xylene 253.27
    p-xylene 338.66
    chlorobenzene 592.66
    dimethyl carbonate 244.72
    n-octane 11.42
    formamide 1342.5
    cyclopentanone 1084.31
    2-pentanone 621.19
    anisole 486.69
    cyclopentyl methyl ether 598.13
    gamma-butyrolactone 1367.75
    1-methoxy-2-propanol 792.23
    pyridine 1093.98
    3-pentanone 440.97
    furfural 1369.33
    n-dodecane 11.55
    diethylene glycol 572.04
    diisopropyl ether 147.25
    tert-amyl alcohol 967.79
    acetylacetone 785.44
    n-hexadecane 13.22
    acetophenone 505.42
    methyl propionate 504.68
    isopentyl acetate 456.17
    trichloroethylene 1811.51
    n-nonanol 129.69
    cyclohexanol 786.28
    benzyl alcohol 507.62
    2-ethylhexanol 205.98
    isooctanol 110.45
    dipropyl ether 165.05
    1,2-dichlorobenzene 514.56
    ethyl lactate 193.65
    propylene carbonate 755.98
    n-methylformamide 1078.99
    2-pentanol 450.86
    n-pentane 48.7
    1-propoxy-2-propanol 376.49
    1-methoxy-2-propyl acetate 401.63
    2-(2-methoxypropoxy) propanol 355.1
    mesitylene 146.1
    ε-caprolactone 1013.39
    p-cymene 112.23
    epichlorohydrin 1350.35
    1,1,1-trichloroethane 760.94
    2-aminoethanol 571.85
    morpholine-4-carbaldehyde 1396.04
    sulfolane 1553.26
    2,2,4-trimethylpentane 38.04
    2-methyltetrahydrofuran 1035.41
    n-hexyl acetate 370.13
    isooctane 21.02
    2-(2-butoxyethoxy)ethanol 477.41
    sec-butyl acetate 296.91
    tert-butyl acetate 442.89
    decalin 62.29
    glycerin 397.55
    diglyme 876.7
    acrylic acid 717.35
    isopropyl myristate 122.21
    n-butyric acid 1039.47
    acetyl acetate 572.58
    di(2-ethylhexyl) phthalate 156.22
    ethyl propionate 350.17
    nitromethane 2534.36
    1,2-diethoxyethane 504.3
    benzonitrile 598.72
    trioctyl phosphate 100.03
    1-bromopropane 550.54
    gamma-valerolactone 1539.26
    n-decanol 90.28
    triethyl phosphate 158.47
    4-methyl-2-pentanol 215.97
    propionitrile 662.38
    vinylene carbonate 724.75
    1,1,2-trichlorotrifluoroethane 1044.37
    DMS 350.72
    cumene 153.72
    2-octanol 104.32
    2-hexanone 418.91
    octyl acetate 165.42
    limonene 169.95
    1,2-dimethoxyethane 1425.53
    ethyl orthosilicate 149.66
    tributyl phosphate 151.55
    diacetone alcohol 492.39
    N,N-dimethylaniline 346.66
    acrylonitrile 859.14
    aniline 567.16
    1,3-propanediol 791.37
    bromobenzene 595.0
    dibromomethane 1015.98
    1,1,2,2-tetrachloroethane 1472.41
    2-methyl-cyclohexyl acetate 264.45
    tetrabutyl urea 190.79
    diisobutyl methanol 114.2
    2-phenylethanol 350.91
    styrene 312.37
    dioctyl adipate 218.44
    dimethyl sulfate 458.68
    ethyl butyrate 296.63
    methyl lactate 271.56
    butyl lactate 220.61
    diethyl carbonate 226.98
    propanediol butyl ether 314.14
    triethyl orthoformate 200.96
    p-tert-butyltoluene 102.49
    methyl 4-tert-butylbenzoate 286.62
    morpholine 1664.65
    tert-butylamine 646.77
    n-dodecanol 67.92
    dimethoxymethane 791.9
    ethylene carbonate 621.07
    cyrene 376.46
    2-ethoxyethyl acetate 380.49
    2-ethylhexyl acetate 346.56
    1,2,4-trichlorobenzene 582.52
    4-methylpyridine 1258.96
    dibutyl ether 196.77
    2,6-dimethyl-4-heptanol 114.2
    DEF 916.74
    dimethyl isosorbide 566.18
    tetrachloroethylene 983.85
    eugenol 304.12
    triacetin 345.71
    span 80 289.87
    1,4-butanediol 357.56
    1,1-dichloroethane 915.45
    2-methyl-1-pentanol 544.29
    methyl formate 834.08
    2-methyl-1-butanol 668.49
    n-decane 18.84
    butyronitrile 733.16
    3,7-dimethyl-1-octanol 175.97
    1-chlorooctane 96.75
    1-chlorotetradecane 39.26
    n-nonane 17.82
    undecane 14.0
    tert-butylcyclohexane 47.7
    cyclooctane 24.49
    cyclopentanol 727.34
    tetrahydropyran 1149.91
    tert-amyl methyl ether 575.58
    2,5,8-trioxanonane 600.84
    1-hexene 242.7
    2-isopropoxyethanol 525.46
    2,2,2-trifluoroethanol 574.84
    methyl butyrate 558.24

    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