Ethyl 5-acetoxyoctanoate

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  • Identifiers

    CAS number
    35234-25-4

    Molecular formula
    C12H22O4

    SMILES
    CCCC(CCCC(=O)OCC)OC(=O)C

  • Odor profile

    Fragrance
    Fruity 83.58%
    Winey 43.15%
    Floral 33.05%
    Sweet 32.26%
    Oily 32.11%
    Fresh 31.02%
    Tropical 29.86%
    Apple 29.22%
    Fatty 26.32%
    Grape 25.0%

     

    Flavor
    Fruity 90.32%
    Pineapple 56.76%
    Tropical 50.66%
    Sweet 44.83%
    Fruit 43.99%
    Green 43.54%
    Apple 39.74%
    Grape 36.52%
    Berry 36.02%
    Pear 34.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.44 (neutral)

    Molecular weight
    230.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    261°C

    Flash point

    • 118.08 ˚C est.

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • ethyl 5-acetoxyoctanoate
    • 35234-25-4
    • Octanoic acid, 5-(acetyloxy)-, ethyl ester
    • UNII-GDC3XJ7Z3X
    • GDC3XJ7Z3X
    • Ethyl 5-(acetyloxy)octanoate
    • .delta.-Acetoxyoctanoic acid, ethyl ester
    • FEMA NO. 4443
    • ethyl 5-acetyloxyoctanoate
    • (+/-)-ETHYL 5-ACETOXYOCTANOATE
    • ETHYL 5-ACETOXYOCTANOATE, (+/-)-
    • SCHEMBL18339441
    • DTXSID40865756
    • DELTA-ACETOXYOCTANOIC ACID, ETHYL ESTER
    • Q27279043
    • 609-100-4

  • Applications

    Ethyl 5-acetoxyoctanoate (CAS 35234-25-4) is primarily used as a fragrance ingredient and as an intermediate in the synthesis of aromatic esters. In perfumery and fragrance applications, it functions as a scent component and odorant in a range of consumer products. In cosmetics and personal care, it may be formulated as a fragrance note within lotions, shampoos, and other formulations. In household products, it is employed to provide characteristic fragrance in cleaners and air fresheners. In industrial manufacturing, it is used as a chemical intermediate for preparing related esters and specialty fragrance compounds. In coatings and inks, it can serve as a fragrance additive to impart or enhance odor in formulated products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2093.26
    methanol 3909.42
    isopropanol 1536.33
    water 5.71
    ethyl acetate 1526.4
    n-propanol 1314.19
    acetone 3519.11
    n-butanol 1043.87
    acetonitrile 2410.23
    DMF 3757.73
    toluene 517.77
    isobutanol 961.2
    1,4-dioxane 1764.33
    methyl acetate 1296.12
    THF 2718.62
    2-butanone 1413.81
    n-pentanol 757.08
    sec-butanol 1040.6
    n-hexane 53.9
    ethylene glycol 375.92
    NMP 2984.57
    cyclohexane 81.6
    DMSO 4649.66
    n-butyl acetate 634.85
    n-octanol 271.64
    chloroform 2831.01
    n-propyl acetate 734.92
    acetic acid 4056.99
    dichloromethane 3163.71
    cyclohexanone 2428.56
    propylene glycol 576.7
    isopropyl acetate 963.29
    DMAc 2691.78
    2-ethoxyethanol 1246.68
    isopentanol 790.59
    n-heptane 19.64
    ethyl formate 1018.75
    1,2-dichloroethane 1799.15
    n-hexanol 426.86
    2-methoxyethanol 2241.48
    isobutyl acetate 450.65
    tetrachloromethane 210.93
    n-pentyl acetate 474.18
    transcutol 2850.82
    n-heptanol 175.46
    ethylbenzene 276.32
    MIBK 709.75
    2-propoxyethanol 929.89
    tert-butanol 1607.84
    MTBE 951.98
    2-butoxyethanol 424.54
    propionic acid 1575.09
    o-xylene 323.57
    formic acid 1357.0
    diethyl ether 926.66
    m-xylene 363.48
    p-xylene 393.81
    chlorobenzene 924.43
    dimethyl carbonate 510.87
    n-octane 14.74
    formamide 1656.25
    cyclopentanone 2456.84
    2-pentanone 1276.42
    anisole 654.35
    cyclopentyl methyl ether 1189.43
    gamma-butyrolactone 3147.72
    1-methoxy-2-propanol 1562.89
    pyridine 1655.64
    3-pentanone 775.58
    furfural 2372.04
    n-dodecane 17.61
    diethylene glycol 743.37
    diisopropyl ether 219.03
    tert-amyl alcohol 1138.56
    acetylacetone 1829.33
    n-hexadecane 20.68
    acetophenone 715.85
    methyl propionate 1084.67
    isopentyl acetate 535.99
    trichloroethylene 3321.29
    n-nonanol 222.64
    cyclohexanol 1079.09
    benzyl alcohol 710.06
    2-ethylhexanol 215.17
    isooctanol 151.65
    dipropyl ether 275.35
    1,2-dichlorobenzene 767.95
    ethyl lactate 347.22
    propylene carbonate 1551.14
    n-methylformamide 1865.04
    2-pentanol 631.64
    n-pentane 43.85
    1-propoxy-2-propanol 584.73
    1-methoxy-2-propyl acetate 683.25
    2-(2-methoxypropoxy) propanol 512.19
    mesitylene 196.7
    ε-caprolactone 1987.16
    p-cymene 125.22
    epichlorohydrin 2772.41
    1,1,1-trichloroethane 1251.41
    2-aminoethanol 807.87
    morpholine-4-carbaldehyde 2356.6
    sulfolane 3369.94
    2,2,4-trimethylpentane 36.24
    2-methyltetrahydrofuran 1774.05
    n-hexyl acetate 731.61
    isooctane 24.87
    2-(2-butoxyethoxy)ethanol 723.82
    sec-butyl acetate 479.58
    tert-butyl acetate 918.25
    decalin 61.86
    glycerin 734.31
    diglyme 1364.57
    acrylic acid 1317.84
    isopropyl myristate 223.35
    n-butyric acid 1988.35
    acetyl acetate 1082.07
    di(2-ethylhexyl) phthalate 234.51
    ethyl propionate 658.22
    nitromethane 5512.62
    1,2-diethoxyethane 727.11
    benzonitrile 952.16
    trioctyl phosphate 159.12
    1-bromopropane 857.18
    gamma-valerolactone 3229.79
    n-decanol 150.97
    triethyl phosphate 220.58
    4-methyl-2-pentanol 306.17
    propionitrile 1171.42
    vinylene carbonate 1465.65
    1,1,2-trichlorotrifluoroethane 1615.28
    DMS 631.81
    cumene 176.74
    2-octanol 163.01
    2-hexanone 723.86
    octyl acetate 302.84
    limonene 192.69
    1,2-dimethoxyethane 1926.63
    ethyl orthosilicate 200.43
    tributyl phosphate 242.98
    diacetone alcohol 976.14
    N,N-dimethylaniline 407.39
    acrylonitrile 1521.14
    aniline 810.24
    1,3-propanediol 1111.83
    bromobenzene 962.32
    dibromomethane 1851.16
    1,1,2,2-tetrachloroethane 2343.63
    2-methyl-cyclohexyl acetate 355.58
    tetrabutyl urea 318.61
    diisobutyl methanol 132.89
    2-phenylethanol 417.12
    styrene 403.54
    dioctyl adipate 390.02
    dimethyl sulfate 1013.51
    ethyl butyrate 433.77
    methyl lactate 540.7
    butyl lactate 412.61
    diethyl carbonate 305.5
    propanediol butyl ether 585.04
    triethyl orthoformate 280.74
    p-tert-butyltoluene 117.8
    methyl 4-tert-butylbenzoate 501.99
    morpholine 2350.07
    tert-butylamine 714.55
    n-dodecanol 114.12
    dimethoxymethane 1593.69
    ethylene carbonate 1163.12
    cyrene 570.33
    2-ethoxyethyl acetate 677.73
    2-ethylhexyl acetate 381.51
    1,2,4-trichlorobenzene 895.01
    4-methylpyridine 1936.58
    dibutyl ether 352.83
    2,6-dimethyl-4-heptanol 132.89
    DEF 1473.95
    dimethyl isosorbide 854.67
    tetrachloroethylene 1296.16
    eugenol 450.16
    triacetin 810.1
    span 80 497.42
    1,4-butanediol 471.39
    1,1-dichloroethane 1738.8
    2-methyl-1-pentanol 585.9
    methyl formate 1432.26
    2-methyl-1-butanol 764.38
    n-decane 30.07
    butyronitrile 1230.65
    3,7-dimethyl-1-octanol 262.98
    1-chlorooctane 163.52
    1-chlorotetradecane 65.16
    n-nonane 28.03
    undecane 21.87
    tert-butylcyclohexane 53.82
    cyclooctane 22.85
    cyclopentanol 1208.02
    tetrahydropyran 1756.24
    tert-amyl methyl ether 632.39
    2,5,8-trioxanonane 880.53
    1-hexene 293.0
    2-isopropoxyethanol 739.22
    2,2,2-trifluoroethanol 913.48
    methyl butyrate 932.5

    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