Hexanoic acid, 5-(acetyloxy)-, ethyl ester

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    35234-24-3

    Molecular formula
    C10H18O4

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

  • Odor profile

    Fruity 90.61%
    Winey 41.56%
    Apple 41.43%
    Sweet 33.18%
    Fresh 32.68%
    Tropical 30.48%
    Ethereal 29.08%
    Pineapple 29.03%
    Grape 28.38%
    Green 26.93%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.31 (neutral)

    Molecular weight
    202.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    234°C

    Flash point est.
    104.08 ˚C

  • Synonyms

    • Hexanoic acid, 5-(acetyloxy)-, ethyl ester
    • ethyl 5-acetoxyhexanoate
    • .delta.-Acetoxycaproic acid, ethyl ester
    • Ethyl 5-(acetyloxy)hexanoate
    • SCHEMBL7028935
    • CVPZALWMCZAWPB-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1373.97
    methanol 2395.91
    isopropanol 1056.85
    water 36.99
    ethyl acetate 957.56
    n-propanol 865.73
    acetone 2158.12
    n-butanol 653.69
    acetonitrile 1544.42
    DMF 3386.46
    toluene 281.98
    isobutanol 594.86
    1,4-dioxane 1299.69
    methyl acetate 997.14
    THF 1954.45
    2-butanone 954.86
    n-pentanol 465.9
    sec-butanol 676.16
    n-hexane 34.96
    ethylene glycol 394.28
    NMP 2763.16
    cyclohexane 38.55
    DMSO 3062.35
    n-butyl acetate 284.03
    n-octanol 173.76
    chloroform 1476.97
    n-propyl acetate 379.79
    acetic acid 3707.24
    dichloromethane 1798.86
    cyclohexanone 1402.65
    propylene glycol 495.59
    isopropyl acetate 549.91
    DMAc 2436.71
    2-ethoxyethanol 974.74
    isopentanol 485.99
    n-heptane 12.55
    ethyl formate 686.76
    1,2-dichloroethane 979.07
    n-hexanol 226.79
    2-methoxyethanol 1913.65
    isobutyl acetate 223.07
    tetrachloromethane 100.6
    n-pentyl acetate 210.2
    transcutol 1909.43
    n-heptanol 94.51
    ethylbenzene 151.15
    MIBK 416.95
    2-propoxyethanol 639.31
    tert-butanol 1138.98
    MTBE 573.63
    2-butoxyethanol 255.46
    propionic acid 1259.1
    o-xylene 202.82
    formic acid 1647.29
    diethyl ether 563.66
    m-xylene 218.16
    p-xylene 223.8
    chlorobenzene 488.44
    dimethyl carbonate 426.33
    n-octane 9.21
    formamide 1780.06
    cyclopentanone 1588.49
    2-pentanone 770.03
    anisole 426.55
    cyclopentyl methyl ether 801.69
    gamma-butyrolactone 2308.31
    1-methoxy-2-propanol 1238.35
    pyridine 985.69
    3-pentanone 518.17
    furfural 1840.65
    n-dodecane 11.93
    diethylene glycol 603.64
    diisopropyl ether 122.93
    tert-amyl alcohol 716.76
    acetylacetone 1208.6
    n-hexadecane 13.61
    acetophenone 460.84
    methyl propionate 797.23
    isopentyl acetate 249.74
    trichloroethylene 1766.98
    n-nonanol 146.02
    cyclohexanol 676.91
    benzyl alcohol 466.96
    2-ethylhexanol 113.63
    isooctanol 80.62
    dipropyl ether 146.45
    1,2-dichlorobenzene 405.39
    ethyl lactate 224.9
    propylene carbonate 1052.29
    n-methylformamide 1653.29
    2-pentanol 398.13
    n-pentane 29.5
    1-propoxy-2-propanol 359.55
    1-methoxy-2-propyl acetate 389.57
    2-(2-methoxypropoxy) propanol 386.17
    mesitylene 118.06
    ε-caprolactone 1268.76
    p-cymene 69.24
    epichlorohydrin 1924.18
    1,1,1-trichloroethane 635.12
    2-aminoethanol 704.59
    morpholine-4-carbaldehyde 2168.94
    sulfolane 2327.9
    2,2,4-trimethylpentane 23.37
    2-methyltetrahydrofuran 1182.95
    n-hexyl acetate 394.6
    isooctane 14.49
    2-(2-butoxyethoxy)ethanol 503.08
    sec-butyl acetate 255.55
    tert-butyl acetate 541.67
    decalin 34.25
    glycerin 744.52
    diglyme 874.77
    acrylic acid 1196.98
    isopropyl myristate 129.35
    n-butyric acid 1245.91
    acetyl acetate 709.54
    di(2-ethylhexyl) phthalate 146.18
    ethyl propionate 410.27
    nitromethane 4685.58
    1,2-diethoxyethane 411.87
    benzonitrile 570.69
    trioctyl phosphate 94.54
    1-bromopropane 416.83
    gamma-valerolactone 2435.59
    n-decanol 99.38
    triethyl phosphate 129.98
    4-methyl-2-pentanol 194.8
    propionitrile 720.29
    vinylene carbonate 1030.0
    1,1,2-trichlorotrifluoroethane 1185.85
    DMS 421.83
    cumene 106.95
    2-octanol 91.42
    2-hexanone 377.86
    octyl acetate 173.7
    limonene 97.21
    1,2-dimethoxyethane 1321.15
    ethyl orthosilicate 121.41
    tributyl phosphate 141.91
    diacetone alcohol 674.49
    N,N-dimethylaniline 294.26
    acrylonitrile 1020.86
    aniline 553.94
    1,3-propanediol 930.48
    bromobenzene 444.75
    dibromomethane 924.94
    1,1,2,2-tetrachloroethane 1208.04
    2-methyl-cyclohexyl acetate 193.22
    tetrabutyl urea 199.44
    diisobutyl methanol 73.97
    2-phenylethanol 240.59
    styrene 205.08
    dioctyl adipate 224.86
    dimethyl sulfate 830.83
    ethyl butyrate 225.15
    methyl lactate 444.87
    butyl lactate 208.44
    diethyl carbonate 176.49
    propanediol butyl ether 392.28
    triethyl orthoformate 163.46
    p-tert-butyltoluene 65.47
    methyl 4-tert-butylbenzoate 321.86
    morpholine 1688.42
    tert-butylamine 492.96
    n-dodecanol 74.48
    dimethoxymethane 1241.83
    ethylene carbonate 768.56
    cyrene 436.71
    2-ethoxyethyl acetate 361.39
    2-ethylhexyl acetate 183.2
    1,2,4-trichlorobenzene 498.35
    4-methylpyridine 1254.61
    dibutyl ether 199.97
    2,6-dimethyl-4-heptanol 73.97
    DEF 1015.96
    dimethyl isosorbide 612.21
    tetrachloroethylene 651.91
    eugenol 296.75
    triacetin 507.63
    span 80 329.18
    1,4-butanediol 363.03
    1,1-dichloroethane 902.68
    2-methyl-1-pentanol 341.22
    methyl formate 1280.74
    2-methyl-1-butanol 471.79
    n-decane 19.0
    butyronitrile 680.52
    3,7-dimethyl-1-octanol 148.66
    1-chlorooctane 92.37
    1-chlorotetradecane 39.5
    n-nonane 17.65
    undecane 14.56
    tert-butylcyclohexane 32.39
    cyclooctane 12.94
    cyclopentanol 814.86
    tetrahydropyran 1015.91
    tert-amyl methyl ether 421.98
    2,5,8-trioxanonane 624.73
    1-hexene 149.89
    2-isopropoxyethanol 517.88
    2,2,2-trifluoroethanol 947.17
    methyl butyrate 547.51

    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

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.81%