Butyl undecanoate

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  • Identifiers

    CAS number
    10580-24-2

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCCC(=O)OCCCC

  • Odor profile

    Fruity 80.24%
    Oily 76.94%
    Fatty 71.82%
    Winey 65.56%
    Waxy 61.39%
    Cognac 58.78%
    Sweet 49.2%
    Floral 46.94%
    Brandy 42.27%
    Fermented 40.68%

    Scent© AI

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    7.14 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point est.
    123.1 ˚C

  • Synonyms

    • Butyl undecanoate
    • Undecanoic acid butyl ester
    • 10580-24-2
    • UNDECANOIC ACID, BUTYL ESTER
    • n-butyl undecanoate
    • Butyl undecanoate #
    • n-Butyl n-undecanoate
    • undecansaure-butylester
    • SCHEMBL2397227
    • DTXSID00147348

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6682.09
    methanol 5639.85
    isopropanol 7713.69
    water 0.06
    ethyl acetate 10754.75
    n-propanol 6635.76
    acetone 14880.17
    n-butanol 6202.87
    acetonitrile 6276.12
    DMF 7783.29
    toluene 3338.04
    isobutanol 5638.11
    1,4-dioxane 8532.26
    methyl acetate 6221.87
    THF 12631.88
    2-butanone 10431.7
    n-pentanol 4047.86
    sec-butanol 6723.11
    n-hexane 2907.28
    ethylene glycol 199.28
    NMP 6291.35
    cyclohexane 5102.73
    DMSO 8637.21
    n-butyl acetate 9011.0
    n-octanol 1904.84
    chloroform 12842.6
    n-propyl acetate 8660.27
    acetic acid 3426.55
    dichloromethane 13464.93
    cyclohexanone 16429.63
    propylene glycol 607.46
    isopropyl acetate 7455.58
    DMAc 5536.36
    2-ethoxyethanol 3683.37
    isopentanol 6016.48
    n-heptane 1209.77
    ethyl formate 4187.52
    1,2-dichloroethane 10943.22
    n-hexanol 3501.88
    2-methoxyethanol 5381.68
    isobutyl acetate 4471.82
    tetrachloromethane 2568.26
    n-pentyl acetate 5838.53
    transcutol 10891.15
    n-heptanol 1716.51
    ethylbenzene 1995.25
    MIBK 5650.79
    2-propoxyethanol 4013.88
    tert-butanol 8371.28
    MTBE 10851.17
    2-butoxyethanol 2873.8
    propionic acid 3537.12
    o-xylene 1930.15
    formic acid 406.14
    diethyl ether 12040.52
    m-xylene 2001.93
    p-xylene 2820.65
    chlorobenzene 4584.66
    dimethyl carbonate 1070.4
    n-octane 438.17
    formamide 919.02
    cyclopentanone 11894.78
    2-pentanone 10913.0
    anisole 2974.22
    cyclopentyl methyl ether 8519.96
    gamma-butyrolactone 9213.93
    1-methoxy-2-propanol 4712.33
    pyridine 9362.31
    3-pentanone 6055.02
    furfural 5793.79
    n-dodecane 192.29
    diethylene glycol 1414.4
    diisopropyl ether 3325.47
    tert-amyl alcohol 6704.35
    acetylacetone 7376.09
    n-hexadecane 242.22
    acetophenone 2994.55
    methyl propionate 5299.43
    isopentyl acetate 7057.7
    trichloroethylene 14763.37
    n-nonanol 1588.22
    cyclohexanol 7709.52
    benzyl alcohol 2020.43
    2-ethylhexanol 2856.45
    isooctanol 1625.16
    dipropyl ether 5701.73
    1,2-dichlorobenzene 3861.11
    ethyl lactate 1557.96
    propylene carbonate 5024.71
    n-methylformamide 3465.55
    2-pentanol 5431.71
    n-pentane 1728.91
    1-propoxy-2-propanol 4363.52
    1-methoxy-2-propyl acetate 4527.55
    2-(2-methoxypropoxy) propanol 1842.08
    mesitylene 1362.36
    ε-caprolactone 10877.77
    p-cymene 1160.27
    epichlorohydrin 10031.13
    1,1,1-trichloroethane 10546.86
    2-aminoethanol 969.6
    morpholine-4-carbaldehyde 5614.46
    sulfolane 8718.05
    2,2,4-trimethylpentane 550.86
    2-methyltetrahydrofuran 13154.22
    n-hexyl acetate 6046.08
    isooctane 444.63
    2-(2-butoxyethoxy)ethanol 2917.27
    sec-butyl acetate 5706.26
    tert-butyl acetate 6641.46
    decalin 1145.36
    glycerin 611.98
    diglyme 6257.41
    acrylic acid 1799.83
    isopropyl myristate 1612.97
    n-butyric acid 8490.15
    acetyl acetate 4227.83
    di(2-ethylhexyl) phthalate 997.12
    ethyl propionate 6252.15
    nitromethane 7007.62
    1,2-diethoxyethane 6987.88
    benzonitrile 3889.5
    trioctyl phosphate 838.19
    1-bromopropane 9441.86
    gamma-valerolactone 12158.34
    n-decanol 968.7
    triethyl phosphate 1426.82
    4-methyl-2-pentanol 2592.84
    propionitrile 5810.27
    vinylene carbonate 3859.15
    1,1,2-trichlorotrifluoroethane 4741.23
    DMS 2466.83
    cumene 1224.8
    2-octanol 1651.9
    2-hexanone 7560.64
    octyl acetate 1902.69
    limonene 2468.45
    1,2-dimethoxyethane 9143.47
    ethyl orthosilicate 1489.58
    tributyl phosphate 1218.05
    diacetone alcohol 4560.22
    N,N-dimethylaniline 1892.83
    acrylonitrile 4796.48
    aniline 3251.22
    1,3-propanediol 2308.67
    bromobenzene 5513.06
    dibromomethane 10666.24
    1,1,2,2-tetrachloroethane 12610.98
    2-methyl-cyclohexyl acetate 2923.48
    tetrabutyl urea 1582.8
    diisobutyl methanol 1690.85
    2-phenylethanol 1931.75
    styrene 2775.12
    dioctyl adipate 2085.17
    dimethyl sulfate 1575.69
    ethyl butyrate 5986.7
    methyl lactate 1307.12
    butyl lactate 2741.63
    diethyl carbonate 2628.18
    propanediol butyl ether 2119.59
    triethyl orthoformate 3112.12
    p-tert-butyltoluene 1054.09
    methyl 4-tert-butylbenzoate 2111.13
    morpholine 12640.88
    tert-butylamine 5805.47
    n-dodecanol 683.41
    dimethoxymethane 4595.87
    ethylene carbonate 4242.23
    cyrene 1378.47
    2-ethoxyethyl acetate 4659.44
    2-ethylhexyl acetate 5377.17
    1,2,4-trichlorobenzene 3992.74
    4-methylpyridine 8908.42
    dibutyl ether 5891.34
    2,6-dimethyl-4-heptanol 1690.85
    DEF 9470.38
    dimethyl isosorbide 3140.35
    tetrachloroethylene 8026.74
    eugenol 1704.08
    triacetin 3222.81
    span 80 2075.87
    1,4-butanediol 822.97
    1,1-dichloroethane 12020.0
    2-methyl-1-pentanol 3491.13
    methyl formate 1910.82
    2-methyl-1-butanol 5116.23
    n-decane 494.39
    butyronitrile 7780.13
    3,7-dimethyl-1-octanol 1995.23
    1-chlorooctane 2097.35
    1-chlorotetradecane 558.17
    n-nonane 558.55
    undecane 280.78
    tert-butylcyclohexane 879.75
    cyclooctane 1022.96
    cyclopentanol 6538.48
    tetrahydropyran 17921.35
    tert-amyl methyl ether 6119.38
    2,5,8-trioxanonane 3150.2
    1-hexene 7153.14
    2-isopropoxyethanol 3105.99
    2,2,2-trifluoroethanol 780.36
    methyl butyrate 9522.5

    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