Isobutyl 10-undecenoate

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  • Identifiers

    CAS number
    5421-27-2

    Molecular formula
    C15H28O2

    SMILES
    CC(C)COC(=O)CCCCCCCCC=C

  • Odor profile

    Fruity 77.07%
    Fatty 75.52%
    Waxy 64.03%
    Oily 58.11%
    Winey 54.68%
    Sweet 46.66%
    Cognac 44.24%
    Rose 40.91%
    Pineapple 39.82%
    Floral 39.56%

    Scent© AI

  • Properties

    XLogP3-AA
    5.5

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 264.00 to 266.00 °C. @ 760.00 mm Hg

    Flash point est.
    124.12 ˚C

    Solubility expt.

    • Insoluble in water; soluble in most organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • Isobutyl 10-undecenoate
    • Isobutyl undecylenate
    • 2-methylpropyl undec-10-enoate
    • 5421-27-2
    • Isobutyl undec-10-enoate
    • 10-Undecenoic acid, 2-methylpropyl ester
    • UNII-6G584PZ24X
    • 6G584PZ24X
    • NSC 6671
    • NSC-6671
    • EINECS 226-538-8
    • DTXSID0063860
    • FEMA NO. 4358
    • SCHEMBL3504577
    • DTXCID6041636
    • NSC6671
    • CHEBI:171849
    • LMFA07010914
    • NS00022343
    • SFE 3:0(2Me)/10:1(9)
    • SFE(3:0(2Me)/10:1(9))
    • Q27264853

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2578.44
    methanol 2002.44
    isopropanol 2681.78
    water 0.04
    ethyl acetate 3425.93
    n-propanol 2198.83
    acetone 3728.41
    n-butanol 2339.3
    acetonitrile 1617.06
    DMF 2161.33
    toluene 1237.1
    isobutanol 1951.29
    1,4-dioxane 2667.15
    methyl acetate 1980.84
    THF 4510.47
    2-butanone 3065.76
    n-pentanol 1764.35
    sec-butanol 2527.64
    n-hexane 885.43
    ethylene glycol 83.6
    NMP 1661.55
    cyclohexane 1159.4
    DMSO 2210.42
    n-butyl acetate 3081.64
    n-octanol 829.02
    chloroform 4396.18
    n-propyl acetate 2548.74
    acetic acid 1110.72
    dichloromethane 4110.97
    cyclohexanone 4153.76
    propylene glycol 293.16
    isopropyl acetate 2481.71
    DMAc 2043.42
    2-ethoxyethanol 1564.95
    isopentanol 2448.43
    n-heptane 359.8
    ethyl formate 1290.6
    1,2-dichloroethane 3208.51
    n-hexanol 1857.24
    2-methoxyethanol 1854.8
    isobutyl acetate 1591.62
    tetrachloromethane 763.22
    n-pentyl acetate 1814.9
    transcutol 5047.34
    n-heptanol 784.52
    ethylbenzene 836.41
    MIBK 1924.98
    2-propoxyethanol 2027.91
    tert-butanol 3032.41
    MTBE 3879.74
    2-butoxyethanol 1228.92
    propionic acid 1023.69
    o-xylene 836.35
    formic acid 155.46
    diethyl ether 3450.71
    m-xylene 903.57
    p-xylene 1093.17
    chlorobenzene 1575.54
    dimethyl carbonate 373.22
    n-octane 152.02
    formamide 263.93
    cyclopentanone 3019.35
    2-pentanone 3246.96
    anisole 1247.87
    cyclopentyl methyl ether 2603.68
    gamma-butyrolactone 2505.43
    1-methoxy-2-propanol 1800.6
    pyridine 2337.08
    3-pentanone 1773.46
    furfural 1900.98
    n-dodecane 83.74
    diethylene glycol 743.88
    diisopropyl ether 1173.55
    tert-amyl alcohol 2773.2
    acetylacetone 2298.38
    n-hexadecane 101.58
    acetophenone 1208.4
    methyl propionate 1611.23
    isopentyl acetate 2733.91
    trichloroethylene 4778.49
    n-nonanol 698.57
    cyclohexanol 2332.95
    benzyl alcohol 887.47
    2-ethylhexanol 1304.89
    isooctanol 746.6
    dipropyl ether 1700.25
    1,2-dichlorobenzene 1421.53
    ethyl lactate 584.98
    propylene carbonate 1630.15
    n-methylformamide 830.69
    2-pentanol 2166.82
    n-pentane 522.55
    1-propoxy-2-propanol 1864.17
    1-methoxy-2-propyl acetate 1758.84
    2-(2-methoxypropoxy) propanol 1047.98
    mesitylene 601.43
    ε-caprolactone 3081.32
    p-cymene 514.39
    epichlorohydrin 3554.65
    1,1,1-trichloroethane 3151.97
    2-aminoethanol 381.53
    morpholine-4-carbaldehyde 1785.46
    sulfolane 2458.71
    2,2,4-trimethylpentane 259.44
    2-methyltetrahydrofuran 4076.02
    n-hexyl acetate 2069.98
    isooctane 215.02
    2-(2-butoxyethoxy)ethanol 1487.83
    sec-butyl acetate 1870.49
    tert-butyl acetate 2211.01
    decalin 403.88
    glycerin 275.0
    diglyme 2727.76
    acrylic acid 558.51
    isopropyl myristate 673.79
    n-butyric acid 2597.64
    acetyl acetate 1381.47
    di(2-ethylhexyl) phthalate 487.67
    ethyl propionate 1885.87
    nitromethane 1758.99
    1,2-diethoxyethane 2475.64
    benzonitrile 1394.77
    trioctyl phosphate 379.42
    1-bromopropane 2689.06
    gamma-valerolactone 3312.55
    n-decanol 475.8
    triethyl phosphate 545.76
    4-methyl-2-pentanol 1168.61
    propionitrile 1625.98
    vinylene carbonate 1224.55
    1,1,2-trichlorotrifluoroethane 1601.62
    DMS 940.12
    cumene 562.67
    2-octanol 694.78
    2-hexanone 2505.89
    octyl acetate 786.86
    limonene 960.1
    1,2-dimethoxyethane 3080.25
    ethyl orthosilicate 587.29
    tributyl phosphate 533.87
    diacetone alcohol 1723.04
    N,N-dimethylaniline 833.18
    acrylonitrile 1328.41
    aniline 1109.74
    1,3-propanediol 885.55
    bromobenzene 1805.92
    dibromomethane 3156.65
    1,1,2,2-tetrachloroethane 4246.99
    2-methyl-cyclohexyl acetate 1204.02
    tetrabutyl urea 644.54
    diisobutyl methanol 755.17
    2-phenylethanol 926.55
    styrene 1049.45
    dioctyl adipate 859.5
    dimethyl sulfate 520.32
    ethyl butyrate 1842.83
    methyl lactate 480.08
    butyl lactate 1025.92
    diethyl carbonate 956.55
    propanediol butyl ether 1011.09
    triethyl orthoformate 1064.78
    p-tert-butyltoluene 473.85
    methyl 4-tert-butylbenzoate 932.93
    morpholine 3684.75
    tert-butylamine 1983.74
    n-dodecanol 343.84
    dimethoxymethane 1551.52
    ethylene carbonate 1238.57
    cyrene 731.12
    2-ethoxyethyl acetate 1637.99
    2-ethylhexyl acetate 2070.2
    1,2,4-trichlorobenzene 1482.47
    4-methylpyridine 2720.74
    dibutyl ether 1756.3
    2,6-dimethyl-4-heptanol 755.17
    DEF 2466.06
    dimethyl isosorbide 1508.72
    tetrachloroethylene 2528.23
    eugenol 832.27
    triacetin 1266.63
    span 80 1004.14
    1,4-butanediol 398.74
    1,1-dichloroethane 3668.73
    2-methyl-1-pentanol 1763.33
    methyl formate 560.01
    2-methyl-1-butanol 2057.09
    n-decane 179.29
    butyronitrile 2534.3
    3,7-dimethyl-1-octanol 956.99
    1-chlorooctane 766.06
    1-chlorotetradecane 244.33
    n-nonane 196.83
    undecane 115.13
    tert-butylcyclohexane 363.75
    cyclooctane 313.93
    cyclopentanol 1754.94
    tetrahydropyran 4823.49
    tert-amyl methyl ether 2386.49
    2,5,8-trioxanonane 1560.26
    1-hexene 2373.25
    2-isopropoxyethanol 1367.29
    2,2,2-trifluoroethanol 241.19
    methyl butyrate 2765.77

    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