Ethyl 4-acetoxyoctanoate

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  • Identifiers

    CAS number
    121312-01-4

    Molecular formula
    C12H22O4

    SMILES
    CCCCC(CCC(=O)OCC)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 77.48%
    Winey 43.37%
    Floral 37.15%
    Oily 34.81%
    Sweet 29.2%
    Herbal 28.83%
    Fresh 27.75%
    Fatty 25.64%
    Tropical 25.58%
    Apple 25.11%

     

    Flavor
    Fruity 88.24%
    Pineapple 53.1%
    Tropical 51.95%
    Green 46.91%
    Sweet 43.85%
    Fruit 42.85%
    Apple 39.55%
    Berry 37.34%
    Grape 36.18%
    Pear 35.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.82 (neutral)

    Molecular weight
    230.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    263°C

    Flash point

    • 127.78 ˚C est.

  • Synonyms

    • ethyl 4-acetoxyoctanoate
    • 121312-01-4
    • ethyl4-acetoxyoctanoate
    • DTXSID30336142
    • YTHRNQINJGHRHH-UHFFFAOYSA-N
    • ETHYL 4-(ACETYLOXY)OCTANOATE
    • 121312-01-4

  • Applications

    Ethyl 4-acetoxyoctanoate (CAS 121312-01-4) is primarily used as an aroma chemical in perfumery and as a fragrance ingredient in cosmetics/personal care, contributing floral and fruity notes in formulations. It is commonly evaluated as an intermediate in organic synthesis for preparing related esters and aroma compounds. In household products, it can be used as a fragrance additive in cleaners, detergents, and air fresheners. In industrial manufacturing, it may serve as a processing solvent or building block for specialty aroma materials and derivative synthesis. It may also be considered as a fragrance component to help stabilize and extend fragrance release in certain formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 706.59
    methanol 1067.58
    isopropanol 470.16
    water 1.44
    ethyl acetate 587.57
    n-propanol 503.03
    acetone 1376.2
    n-butanol 418.68
    acetonitrile 969.43
    DMF 2328.54
    toluene 304.95
    isobutanol 377.49
    1,4-dioxane 828.64
    methyl acetate 650.9
    THF 1212.43
    2-butanone 830.17
    n-pentanol 335.9
    sec-butanol 438.26
    n-hexane 38.61
    ethylene glycol 159.03
    NMP 1992.4
    cyclohexane 41.74
    DMSO 2974.91
    n-butyl acetate 440.16
    n-octanol 94.19
    chloroform 1756.57
    n-propyl acetate 363.35
    acetic acid 1677.89
    dichloromethane 1781.55
    cyclohexanone 1222.08
    propylene glycol 204.14
    isopropyl acetate 408.58
    DMAc 2415.05
    2-ethoxyethanol 631.18
    isopentanol 391.75
    n-heptane 8.43
    ethyl formate 452.87
    1,2-dichloroethane 1186.03
    n-hexanol 224.26
    2-methoxyethanol 1026.75
    isobutyl acetate 268.43
    tetrachloromethane 193.15
    n-pentyl acetate 222.23
    transcutol 1556.12
    n-heptanol 76.66
    ethylbenzene 184.42
    MIBK 372.08
    2-propoxyethanol 515.3
    tert-butanol 659.6
    MTBE 569.83
    2-butoxyethanol 234.95
    propionic acid 682.2
    o-xylene 222.35
    formic acid 598.7
    diethyl ether 462.13
    m-xylene 207.17
    p-xylene 250.84
    chlorobenzene 567.06
    dimethyl carbonate 268.13
    n-octane 4.76
    formamide 835.15
    cyclopentanone 1298.82
    2-pentanone 577.27
    anisole 442.29
    cyclopentyl methyl ether 537.77
    gamma-butyrolactone 1422.08
    1-methoxy-2-propanol 651.6
    pyridine 917.4
    3-pentanone 479.36
    furfural 1369.49
    n-dodecane 4.93
    diethylene glycol 408.46
    diisopropyl ether 112.93
    tert-amyl alcohol 572.54
    acetylacetone 901.48
    n-hexadecane 5.93
    acetophenone 493.85
    methyl propionate 506.66
    isopentyl acetate 417.87
    trichloroethylene 2145.22
    n-nonanol 84.06
    cyclohexanol 422.19
    benzyl alcohol 406.14
    2-ethylhexanol 134.99
    isooctanol 69.41
    dipropyl ether 130.65
    1,2-dichlorobenzene 553.99
    ethyl lactate 186.82
    propylene carbonate 779.6
    n-methylformamide 961.02
    2-pentanol 247.09
    n-pentane 23.18
    1-propoxy-2-propanol 316.84
    1-methoxy-2-propyl acetate 436.36
    2-(2-methoxypropoxy) propanol 339.98
    mesitylene 117.89
    ε-caprolactone 1028.31
    p-cymene 83.93
    epichlorohydrin 1456.3
    1,1,1-trichloroethane 941.09
    2-aminoethanol 330.47
    morpholine-4-carbaldehyde 1376.26
    sulfolane 2107.92
    2,2,4-trimethylpentane 23.33
    2-methyltetrahydrofuran 895.59
    n-hexyl acetate 333.36
    isooctane 13.27
    2-(2-butoxyethoxy)ethanol 415.64
    sec-butyl acetate 281.91
    tert-butyl acetate 469.19
    decalin 43.22
    glycerin 350.67
    diglyme 818.05
    acrylic acid 657.67
    isopropyl myristate 106.28
    n-butyric acid 809.05
    acetyl acetate 552.59
    di(2-ethylhexyl) phthalate 157.72
    ethyl propionate 332.59
    nitromethane 2474.02
    1,2-diethoxyethane 388.55
    benzonitrile 566.53
    trioctyl phosphate 87.69
    1-bromopropane 527.53
    gamma-valerolactone 1637.13
    n-decanol 55.99
    triethyl phosphate 169.55
    4-methyl-2-pentanol 151.29
    propionitrile 519.55
    vinylene carbonate 725.74
    1,1,2-trichlorotrifluoroethane 1245.28
    DMS 371.46
    cumene 123.5
    2-octanol 60.0
    2-hexanone 410.68
    octyl acetate 141.08
    limonene 134.43
    1,2-dimethoxyethane 1058.83
    ethyl orthosilicate 154.92
    tributyl phosphate 153.39
    diacetone alcohol 502.64
    N,N-dimethylaniline 307.02
    acrylonitrile 741.7
    aniline 473.87
    1,3-propanediol 483.66
    bromobenzene 620.95
    dibromomethane 1071.67
    1,1,2,2-tetrachloroethane 1801.18
    2-methyl-cyclohexyl acetate 256.13
    tetrabutyl urea 195.04
    diisobutyl methanol 78.98
    2-phenylethanol 272.16
    styrene 267.28
    dioctyl adipate 216.17
    dimethyl sulfate 665.98
    ethyl butyrate 262.91
    methyl lactate 284.02
    butyl lactate 224.61
    diethyl carbonate 210.31
    propanediol butyl ether 285.17
    triethyl orthoformate 189.44
    p-tert-butyltoluene 78.75
    methyl 4-tert-butylbenzoate 300.33
    morpholine 1170.28
    tert-butylamine 349.85
    n-dodecanol 40.64
    dimethoxymethane 725.15
    ethylene carbonate 582.26
    cyrene 386.87
    2-ethoxyethyl acetate 379.04
    2-ethylhexyl acetate 324.86
    1,2,4-trichlorobenzene 679.01
    4-methylpyridine 1117.11
    dibutyl ether 144.14
    2,6-dimethyl-4-heptanol 78.98
    DEF 931.15
    dimethyl isosorbide 556.8
    tetrachloroethylene 1038.52
    eugenol 287.26
    triacetin 411.39
    span 80 271.7
    1,4-butanediol 201.92
    1,1-dichloroethane 995.07
    2-methyl-1-pentanol 344.98
    methyl formate 630.79
    2-methyl-1-butanol 394.95
    n-decane 8.95
    butyronitrile 539.32
    3,7-dimethyl-1-octanol 126.99
    1-chlorooctane 65.95
    1-chlorotetradecane 24.01
    n-nonane 8.23
    undecane 6.27
    tert-butylcyclohexane 34.04
    cyclooctane 10.92
    cyclopentanol 453.12
    tetrahydropyran 736.73
    tert-amyl methyl ether 435.4
    2,5,8-trioxanonane 537.73
    1-hexene 175.73
    2-isopropoxyethanol 398.56
    2,2,2-trifluoroethanol 490.42
    methyl butyrate 509.72

    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