Ethyl DL-3-Acetoxybutyrate

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  • Identifiers

    CAS number
    27846-49-7

    Molecular formula
    C8H14O4

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 91.43%
    Green 65.07%
    Apple 63.09%
    Winey 50.06%
    Fresh 49.06%
    Sweet 45.64%
    Ethereal 44.16%
    Tropical 39.37%
    Pineapple 37.03%
    Grape 35.6%

     

    Flavor
    Fruity 92.4%
    Green 50.47%
    Tropical 45.16%
    Bitter 43.47%
    Sweet 43.19%
    Apple 39.19%
    Fruit 38.44%
    Pineapple 38.01%
    Grape 33.16%
    Fresh 32.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.16 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    200°C

    Flash point

    • 81.81 ˚C est.

  • Synonyms

    • Ethyl DL-3-Acetoxybutyrate
    • RefChem:596182
    • 672-726-1
    • ethyl 3-acetoxybutanoate
    • 27846-49-7
    • ethyl 3-acetyloxybutanoate
    • DL-3-Acetoxybutyric Acid Ethyl Ester
    • Ethyl 3-(acetyloxy)butanoate
    • MFCD00059378
    • Butanoic acid, 3-(acetyloxy)-, ethyl ester
    • ethyl 3-acetoxybutyrate
    • SCHEMBL5083575
    • DTXSID60336958
    • SY052368
    • A0831
    • CS-0450222
    • D88336
    • Butyric acid, 3-hydroxy-, ethyl ester, acetate
    • 27846-49-7

  • Applications

    Ethyl DL-3-Acetoxybutyrate (CAS 27846-49-7) is primarily used as an odorant in fragrance materials, contributing fruity and sweet notes to fine fragrances, cosmetics, and related personal-care products; it is also used as a synthetic intermediate for the preparation of other fragrance compounds. In household products such as cleaners and air fresheners, it serves as a fragrance component. For flavor/aroma applications, it may be evaluated for inclusion in limited-use formulations under applicable regulations. In industrial manufacturing, it can function as a building block in the synthesis of specialty esters for fragrance and formulation work. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 726.38
    methanol 1139.6
    isopropanol 545.12
    water 100.22
    ethyl acetate 795.98
    n-propanol 502.19
    acetone 1772.91
    n-butanol 385.76
    acetonitrile 1069.03
    DMF 3270.99
    toluene 215.81
    isobutanol 356.11
    1,4-dioxane 1073.78
    methyl acetate 995.64
    THF 1647.57
    2-butanone 773.44
    n-pentanol 226.97
    sec-butanol 417.43
    n-hexane 31.16
    ethylene glycol 361.85
    NMP 3727.77
    cyclohexane 38.12
    DMSO 2111.78
    n-butyl acetate 187.36
    n-octanol 110.61
    chloroform 996.02
    n-propyl acetate 279.29
    acetic acid 3041.61
    dichloromethane 1114.58
    cyclohexanone 1120.16
    propylene glycol 426.08
    isopropyl acetate 418.43
    DMAc 2894.72
    2-ethoxyethanol 549.35
    isopentanol 284.92
    n-heptane 11.23
    ethyl formate 620.73
    1,2-dichloroethane 669.95
    n-hexanol 135.05
    2-methoxyethanol 1272.57
    isobutyl acetate 149.85
    tetrachloromethane 88.34
    n-pentyl acetate 134.43
    transcutol 1120.78
    n-heptanol 53.77
    ethylbenzene 116.04
    MIBK 298.71
    2-propoxyethanol 423.6
    tert-butanol 652.46
    MTBE 386.66
    2-butoxyethanol 151.65
    propionic acid 1110.77
    o-xylene 193.12
    formic acid 1427.26
    diethyl ether 417.8
    m-xylene 179.64
    p-xylene 170.98
    chlorobenzene 364.53
    dimethyl carbonate 501.85
    n-octane 6.01
    formamide 1554.45
    cyclopentanone 1525.54
    2-pentanone 600.02
    anisole 342.58
    cyclopentyl methyl ether 720.21
    gamma-butyrolactone 2407.11
    1-methoxy-2-propanol 852.05
    pyridine 748.36
    3-pentanone 468.66
    furfural 1866.58
    n-dodecane 8.38
    diethylene glycol 452.3
    diisopropyl ether 94.46
    tert-amyl alcohol 479.74
    acetylacetone 1024.35
    n-hexadecane 9.42
    acetophenone 400.14
    methyl propionate 776.35
    isopentyl acetate 170.28
    trichloroethylene 1302.21
    n-nonanol 93.58
    cyclohexanol 504.15
    benzyl alcohol 327.87
    2-ethylhexanol 79.09
    isooctanol 48.16
    dipropyl ether 101.92
    1,2-dichlorobenzene 346.42
    ethyl lactate 206.14
    propylene carbonate 1108.02
    n-methylformamide 1488.18
    2-pentanol 238.15
    n-pentane 26.87
    1-propoxy-2-propanol 240.19
    1-methoxy-2-propyl acetate 333.47
    2-(2-methoxypropoxy) propanol 323.92
    mesitylene 100.37
    ε-caprolactone 1113.38
    p-cymene 56.78
    epichlorohydrin 1664.37
    1,1,1-trichloroethane 511.34
    2-aminoethanol 496.7
    morpholine-4-carbaldehyde 2319.97
    sulfolane 2514.69
    2,2,4-trimethylpentane 22.79
    2-methyltetrahydrofuran 1097.74
    n-hexyl acetate 273.81
    isooctane 12.29
    2-(2-butoxyethoxy)ethanol 347.48
    sec-butyl acetate 194.97
    tert-butyl acetate 395.18
    decalin 32.48
    glycerin 663.64
    diglyme 615.71
    acrylic acid 1147.39
    isopropyl myristate 93.7
    n-butyric acid 927.35
    acetyl acetate 693.69
    di(2-ethylhexyl) phthalate 123.29
    ethyl propionate 368.12
    nitromethane 4477.27
    1,2-diethoxyethane 221.15
    benzonitrile 424.45
    trioctyl phosphate 70.89
    1-bromopropane 291.06
    gamma-valerolactone 2244.5
    n-decanol 64.29
    triethyl phosphate 116.16
    4-methyl-2-pentanol 117.16
    propionitrile 481.03
    vinylene carbonate 1066.16
    1,1,2-trichlorotrifluoroethane 1182.43
    DMS 399.46
    cumene 88.36
    2-octanol 51.3
    2-hexanone 258.85
    octyl acetate 127.83
    limonene 80.82
    1,2-dimethoxyethane 867.67
    ethyl orthosilicate 101.47
    tributyl phosphate 116.53
    diacetone alcohol 481.77
    N,N-dimethylaniline 262.26
    acrylonitrile 759.3
    aniline 449.98
    1,3-propanediol 589.37
    bromobenzene 302.33
    dibromomethane 600.36
    1,1,2,2-tetrachloroethane 902.85
    2-methyl-cyclohexyl acetate 163.82
    tetrabutyl urea 165.69
    diisobutyl methanol 48.84
    2-phenylethanol 176.87
    styrene 141.57
    dioctyl adipate 181.92
    dimethyl sulfate 1125.12
    ethyl butyrate 186.05
    methyl lactate 493.69
    butyl lactate 144.35
    diethyl carbonate 148.66
    propanediol butyl ether 240.97
    triethyl orthoformate 134.72
    p-tert-butyltoluene 52.66
    methyl 4-tert-butylbenzoate 280.8
    morpholine 1339.25
    tert-butylamine 308.59
    n-dodecanol 48.53
    dimethoxymethane 1074.69
    ethylene carbonate 758.29
    cyrene 432.94
    2-ethoxyethyl acetate 253.86
    2-ethylhexyl acetate 133.05
    1,2,4-trichlorobenzene 468.57
    4-methylpyridine 1021.66
    dibutyl ether 119.53
    2,6-dimethyl-4-heptanol 48.84
    DEF 904.4
    dimethyl isosorbide 533.56
    tetrachloroethylene 498.29
    eugenol 231.55
    triacetin 407.49
    span 80 251.04
    1,4-butanediol 208.42
    1,1-dichloroethane 654.96
    2-methyl-1-pentanol 199.53
    methyl formate 1274.58
    2-methyl-1-butanol 309.29
    n-decane 12.97
    butyronitrile 413.28
    3,7-dimethyl-1-octanol 100.1
    1-chlorooctane 61.66
    1-chlorotetradecane 27.53
    n-nonane 12.29
    undecane 10.12
    tert-butylcyclohexane 28.77
    cyclooctane 12.67
    cyclopentanol 642.22
    tetrahydropyran 781.1
    tert-amyl methyl ether 327.66
    2,5,8-trioxanonane 479.13
    1-hexene 104.0
    2-isopropoxyethanol 311.2
    2,2,2-trifluoroethanol 987.23
    methyl butyrate 451.14

    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