Butyl acetoxyacetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    85237-83-8

    Molecular formula
    C8H14O4

    SMILES
    CCCCOC(=O)COC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.04%
    Winey 58.44%
    Caramellic 57.01%
    Sweet 49.01%
    Apple 46.56%
    Ethereal 44.3%
    Fermented 38.63%
    Buttery 37.07%
    Oily 36.16%
    Herbal 35.01%

     

    Flavor
    Fruity 88.83%
    Green 53.96%
    Sweet 51.78%
    Apple 50.5%
    Fruit 46.74%
    Pineapple 45.69%
    Tropical 42.65%
    Pear 39.26%
    Bitter 37.77%
    Banana 37.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.17 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    218°C

    Flash point

    • 87.22 ˚C est.

  • Synonyms

    • Butyl acetoxyacetate
    • 85237-83-8
    • EINECS 286-445-3
    • Butyl 2-acetoxyacetate
    • Butyl (acetyloxy)acetate
    • SCHEMBL3889777
    • SCHEMBL4849094
    • SCHEMBL6658249
    • DTXSID50234454
    • NS00038868
    • 85237-83-8

  • Applications

    Butyl acetoxyacetate (CAS number: 85237-83-8) is typically used as an intermediate in fragrance and flavor chemistry, serving as a building block for ester-based aroma compounds. It may also function as a solvent or co-solvent in industrial formulations, including coatings, inks, and adhesives. In cosmetics and personal care, it can appear as an aroma ingredient or precursor in fragrance formulations. In household cleaning products, it may appear as a fragrance or solvent component. In polymers and coatings, it is evaluated as a specialty ester precursor for the synthesis of ester additives or modifiers for plastics and coatings. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 460.28
    methanol 909.39
    isopropanol 269.48
    water 5.06
    ethyl acetate 156.34
    n-propanol 226.06
    acetone 410.13
    n-butanol 196.89
    acetonitrile 264.3
    DMF 1008.89
    toluene 72.72
    isobutanol 146.21
    1,4-dioxane 409.38
    methyl acetate 202.31
    THF 441.84
    2-butanone 185.03
    n-pentanol 123.18
    sec-butanol 169.67
    n-hexane 5.89
    ethylene glycol 164.36
    NMP 671.37
    cyclohexane 11.85
    DMSO 1286.11
    n-butyl acetate 104.65
    n-octanol 38.66
    chloroform 326.24
    n-propyl acetate 86.75
    acetic acid 715.31
    dichloromethane 413.22
    cyclohexanone 296.7
    propylene glycol 143.4
    isopropyl acetate 87.84
    DMAc 815.12
    2-ethoxyethanol 322.43
    isopentanol 161.81
    n-heptane 2.82
    ethyl formate 199.8
    1,2-dichloroethane 281.06
    n-hexanol 75.25
    2-methoxyethanol 667.98
    isobutyl acetate 57.02
    tetrachloromethane 30.29
    n-pentyl acetate 51.32
    transcutol 692.4
    n-heptanol 30.69
    ethylbenzene 47.57
    MIBK 79.91
    2-propoxyethanol 195.78
    tert-butanol 335.9
    MTBE 136.57
    2-butoxyethanol 101.25
    propionic acid 230.8
    o-xylene 65.52
    formic acid 431.21
    diethyl ether 97.59
    m-xylene 51.62
    p-xylene 73.64
    chlorobenzene 120.71
    dimethyl carbonate 74.77
    n-octane 1.82
    formamide 615.34
    cyclopentanone 343.04
    2-pentanone 126.99
    anisole 134.13
    cyclopentyl methyl ether 126.01
    gamma-butyrolactone 436.95
    1-methoxy-2-propanol 329.23
    pyridine 340.95
    3-pentanone 82.06
    furfural 534.21
    n-dodecane 2.43
    diethylene glycol 252.43
    diisopropyl ether 20.87
    tert-amyl alcohol 223.12
    acetylacetone 221.63
    n-hexadecane 2.75
    acetophenone 144.82
    methyl propionate 120.95
    isopentyl acetate 103.66
    trichloroethylene 471.87
    n-nonanol 34.55
    cyclohexanol 158.98
    benzyl alcohol 156.07
    2-ethylhexanol 45.8
    isooctanol 27.76
    dipropyl ether 31.53
    1,2-dichlorobenzene 125.38
    ethyl lactate 67.37
    propylene carbonate 218.32
    n-methylformamide 441.49
    2-pentanol 87.52
    n-pentane 5.58
    1-propoxy-2-propanol 113.04
    1-methoxy-2-propyl acetate 114.98
    2-(2-methoxypropoxy) propanol 157.17
    mesitylene 30.79
    ε-caprolactone 256.2
    p-cymene 27.69
    epichlorohydrin 453.05
    1,1,1-trichloroethane 152.91
    2-aminoethanol 264.3
    morpholine-4-carbaldehyde 586.73
    sulfolane 622.75
    2,2,4-trimethylpentane 5.56
    2-methyltetrahydrofuran 268.52
    n-hexyl acetate 83.95
    isooctane 2.97
    2-(2-butoxyethoxy)ethanol 195.62
    sec-butyl acetate 60.36
    tert-butyl acetate 108.22
    decalin 9.69
    glycerin 234.3
    diglyme 385.64
    acrylic acid 248.83
    isopropyl myristate 32.69
    n-butyric acid 278.7
    acetyl acetate 143.71
    di(2-ethylhexyl) phthalate 53.42
    ethyl propionate 78.38
    nitromethane 840.82
    1,2-diethoxyethane 122.68
    benzonitrile 175.78
    trioctyl phosphate 30.66
    1-bromopropane 95.38
    gamma-valerolactone 538.3
    n-decanol 25.21
    triethyl phosphate 52.41
    4-methyl-2-pentanol 50.84
    propionitrile 149.86
    vinylene carbonate 227.15
    1,1,2-trichlorotrifluoroethane 442.53
    DMS 104.17
    cumene 33.82
    2-octanol 22.04
    2-hexanone 88.15
    octyl acetate 43.12
    limonene 39.75
    1,2-dimethoxyethane 476.99
    ethyl orthosilicate 46.21
    tributyl phosphate 46.76
    diacetone alcohol 179.69
    N,N-dimethylaniline 110.16
    acrylonitrile 252.59
    aniline 154.61
    1,3-propanediol 334.73
    bromobenzene 111.2
    dibromomethane 233.91
    1,1,2,2-tetrachloroethane 397.66
    2-methyl-cyclohexyl acetate 76.48
    tetrabutyl urea 67.98
    diisobutyl methanol 30.47
    2-phenylethanol 100.79
    styrene 66.02
    dioctyl adipate 73.66
    dimethyl sulfate 170.93
    ethyl butyrate 74.8
    methyl lactate 114.25
    butyl lactate 64.52
    diethyl carbonate 67.52
    propanediol butyl ether 128.8
    triethyl orthoformate 56.3
    p-tert-butyltoluene 26.45
    methyl 4-tert-butylbenzoate 103.77
    morpholine 532.04
    tert-butylamine 163.05
    n-dodecanol 19.36
    dimethoxymethane 265.59
    ethylene carbonate 173.19
    cyrene 156.31
    2-ethoxyethyl acetate 97.14
    2-ethylhexyl acetate 75.5
    1,2,4-trichlorobenzene 158.58
    4-methylpyridine 318.46
    dibutyl ether 42.21
    2,6-dimethyl-4-heptanol 30.47
    DEF 241.63
    dimethyl isosorbide 233.06
    tetrachloroethylene 240.66
    eugenol 119.73
    triacetin 119.18
    span 80 116.59
    1,4-butanediol 127.29
    1,1-dichloroethane 185.45
    2-methyl-1-pentanol 121.5
    methyl formate 315.14
    2-methyl-1-butanol 144.16
    n-decane 3.5
    butyronitrile 155.37
    3,7-dimethyl-1-octanol 49.45
    1-chlorooctane 18.6
    1-chlorotetradecane 8.98
    n-nonane 2.95
    undecane 2.81
    tert-butylcyclohexane 7.85
    cyclooctane 3.23
    cyclopentanol 186.1
    tetrahydropyran 227.47
    tert-amyl methyl ether 101.0
    2,5,8-trioxanonane 295.92
    1-hexene 31.06
    2-isopropoxyethanol 159.11
    2,2,2-trifluoroethanol 200.54
    methyl butyrate 136.57

    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