Butyl octanoate

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  • Identifiers

    CAS number
    589-75-3

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCCC(=O)OCCCC

  • Odor profile

    Fruity 93.89%
    Green 76.31%
    Winey 72.6%
    Oily 67.58%
    Sweet 60.11%
    Fatty 58.81%
    Waxy 58.52%
    Cognac 58.11%
    Floral 49.02%
    Herbal 48.91%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point est.
    98.94 ˚C

  • Synonyms

    • BUTYL OCTANOATE
    • Butyl caprylate
    • 589-75-3
    • Butyl n-Octanoate
    • n-Butylcaprylate
    • n-Butyl octanoate
    • Octanoic acid, butyl ester
    • Caprylic acid n-butyl ester
    • n-Butyl n-octanoate
    • n-Caprylic acid n-butyl ester
    • 4I64Y9N2WO
    • EINECS 209-659-0
    • NSC 23740
    • NSC-23740
    • UNII-4I64Y9N2WO
    • AI3-30983
    • DTXSID0060432
    • CHEBI:87380
    • Butyl-caprylate
    • Octanoic acid butyl ester
    • butyl caprylic acid
    • butyl octanoic acid
    • MFCD00048918
    • N-Butylcaprylic acid
    • N-Butyl octanoic acid
    • Butyl octanoate, AldrichCPR
    • n-Octanoic Acid Butyl Ester
    • SCHEMBL120635
    • DTXCID1042495
    • NSC23740
    • HY-W127520
    • BS-48878
    • CS-0185747
    • NS00012057
    • O0029
    • D91788
    • Q27159575
    • 209-659-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13759.0
    methanol 14077.7
    isopropanol 12705.97
    water 0.14
    ethyl acetate 13923.82
    n-propanol 11073.12
    acetone 24324.87
    n-butanol 9827.21
    acetonitrile 12086.68
    DMF 11716.84
    toluene 4202.26
    isobutanol 8562.41
    1,4-dioxane 10708.4
    methyl acetate 8543.7
    THF 14823.62
    2-butanone 13587.24
    n-pentanol 6177.2
    sec-butanol 10218.43
    n-hexane 3800.88
    ethylene glycol 609.22
    NMP 7508.73
    cyclohexane 4839.97
    DMSO 13207.31
    n-butyl acetate 11123.7
    n-octanol 2494.74
    chloroform 17052.83
    n-propyl acetate 8977.83
    acetic acid 6898.71
    dichloromethane 17440.09
    cyclohexanone 18583.67
    propylene glycol 1350.2
    isopropyl acetate 8430.22
    DMAc 6417.16
    2-ethoxyethanol 4805.15
    isopentanol 8579.11
    n-heptane 1226.71
    ethyl formate 5928.23
    1,2-dichloroethane 13374.6
    n-hexanol 5633.78
    2-methoxyethanol 8011.97
    isobutyl acetate 4348.99
    tetrachloromethane 2957.7
    n-pentyl acetate 5602.1
    transcutol 14191.25
    n-heptanol 2141.38
    ethylbenzene 2378.19
    MIBK 6000.01
    2-propoxyethanol 5865.23
    tert-butanol 12218.07
    MTBE 13144.59
    2-butoxyethanol 3242.72
    propionic acid 5738.07
    o-xylene 2223.07
    formic acid 1040.84
    diethyl ether 14775.02
    m-xylene 2348.16
    p-xylene 3203.49
    chlorobenzene 5879.02
    dimethyl carbonate 1404.71
    n-octane 458.27
    formamide 2019.8
    cyclopentanone 13543.02
    2-pentanone 13198.67
    anisole 3554.84
    cyclopentyl methyl ether 9182.35
    gamma-butyrolactone 11213.74
    1-methoxy-2-propanol 6378.3
    pyridine 12527.92
    3-pentanone 7202.4
    furfural 6984.88
    n-dodecane 231.56
    diethylene glycol 2462.52
    diisopropyl ether 3721.96
    tert-amyl alcohol 9457.88
    acetylacetone 9148.15
    n-hexadecane 281.47
    acetophenone 3327.13
    methyl propionate 6758.23
    isopentyl acetate 8089.26
    trichloroethylene 19163.25
    n-nonanol 2002.62
    cyclohexanol 9863.35
    benzyl alcohol 2668.62
    2-ethylhexanol 3725.4
    isooctanol 1835.65
    dipropyl ether 5913.05
    1,2-dichlorobenzene 4321.58
    ethyl lactate 1721.12
    propylene carbonate 5667.82
    n-methylformamide 5625.07
    2-pentanol 7830.77
    n-pentane 2171.96
    1-propoxy-2-propanol 5468.94
    1-methoxy-2-propyl acetate 5034.48
    2-(2-methoxypropoxy) propanol 2295.01
    mesitylene 1507.35
    ε-caprolactone 12030.24
    p-cymene 1271.14
    epichlorohydrin 12043.61
    1,1,1-trichloroethane 12187.32
    2-aminoethanol 2219.76
    morpholine-4-carbaldehyde 6458.41
    sulfolane 10266.81
    2,2,4-trimethylpentane 623.82
    2-methyltetrahydrofuran 14908.51
    n-hexyl acetate 6464.53
    isooctane 516.74
    2-(2-butoxyethoxy)ethanol 3647.22
    sec-butyl acetate 5415.93
    tert-butyl acetate 6698.22
    decalin 1206.26
    glycerin 1266.41
    diglyme 7008.93
    acrylic acid 3382.1
    isopropyl myristate 1711.02
    n-butyric acid 12144.79
    acetyl acetate 5312.85
    di(2-ethylhexyl) phthalate 1189.32
    ethyl propionate 6456.32
    nitromethane 11778.86
    1,2-diethoxyethane 8200.9
    benzonitrile 5334.26
    trioctyl phosphate 943.03
    1-bromopropane 11282.04
    gamma-valerolactone 13638.35
    n-decanol 1249.82
    triethyl phosphate 1404.61
    4-methyl-2-pentanol 3280.04
    propionitrile 9072.66
    vinylene carbonate 4793.99
    1,1,2-trichlorotrifluoroethane 6334.95
    DMS 2823.69
    cumene 1354.15
    2-octanol 2011.95
    2-hexanone 8680.69
    octyl acetate 2100.51
    limonene 2653.46
    1,2-dimethoxyethane 10424.88
    ethyl orthosilicate 1455.69
    tributyl phosphate 1378.53
    diacetone alcohol 4993.83
    N,N-dimethylaniline 2063.02
    acrylonitrile 8354.61
    aniline 4549.71
    1,3-propanediol 4045.66
    bromobenzene 6769.43
    dibromomethane 13664.19
    1,1,2,2-tetrachloroethane 14935.57
    2-methyl-cyclohexyl acetate 2895.23
    tetrabutyl urea 1717.13
    diisobutyl methanol 1917.24
    2-phenylethanol 2641.69
    styrene 3496.19
    dioctyl adipate 2182.09
    dimethyl sulfate 1934.51
    ethyl butyrate 5901.55
    methyl lactate 1736.19
    butyl lactate 2920.41
    diethyl carbonate 2673.02
    propanediol butyl ether 2800.67
    triethyl orthoformate 2901.16
    p-tert-butyltoluene 1164.58
    methyl 4-tert-butylbenzoate 2151.48
    morpholine 15905.35
    tert-butylamine 8539.16
    n-dodecanol 882.59
    dimethoxymethane 5959.78
    ethylene carbonate 4890.5
    cyrene 1575.14
    2-ethoxyethyl acetate 4874.55
    2-ethylhexyl acetate 5889.97
    1,2,4-trichlorobenzene 4504.78
    4-methylpyridine 11457.35
    dibutyl ether 6006.41
    2,6-dimethyl-4-heptanol 1917.24
    DEF 10911.75
    dimethyl isosorbide 3514.65
    tetrachloroethylene 9796.05
    eugenol 1981.29
    triacetin 3304.35
    span 80 2569.92
    1,4-butanediol 1478.18
    1,1-dichloroethane 15288.2
    2-methyl-1-pentanol 5034.73
    methyl formate 3233.49
    2-methyl-1-butanol 7381.74
    n-decane 519.25
    butyronitrile 12190.03
    3,7-dimethyl-1-octanol 2469.45
    1-chlorooctane 2246.36
    1-chlorotetradecane 620.63
    n-nonane 603.42
    undecane 323.01
    tert-butylcyclohexane 993.76
    cyclooctane 978.27
    cyclopentanol 8135.88
    tetrahydropyran 20837.48
    tert-amyl methyl ether 7145.78
    2,5,8-trioxanonane 3801.07
    1-hexene 9839.62
    2-isopropoxyethanol 3774.33
    2,2,2-trifluoroethanol 1349.82
    methyl butyrate 10205.03

    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