Isoamyl undecanoate

  • Identifiers

    Molecular formula
    C16H32O2

    SMILES
    CCCCCCCCCCC(=O)OCCC(C)C

  • Odor profile

    Oily 75.67%
    Fruity 67.64%
    Fatty 66.29%
    Winey 61.09%
    Waxy 60.0%
    Cognac 54.66%
    Floral 44.75%
    Fermented 42.19%
    Brandy 39.69%
    Sweet 39.53%

    Scent© AI

  • Properties

    XLogP3-AA
    6.4

    Molecular weight
    256.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point est.
    127.62 ˚C

  • Synonyms

    • Isoamyl undecanoate
    • isoamyl hendecanoate
    • SCHEMBL2397395
    • JJXRRRGUDICKPR-UHFFFAOYSA-N
  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5435.94
    methanol 3686.51
    isopropanol 6043.27
    water 0.05
    ethyl acetate 9191.69
    n-propanol 4984.4
    acetone 10719.21
    n-butanol 4900.6
    acetonitrile 3918.23
    DMF 5051.5
    toluene 2711.62
    isobutanol 4307.24
    1,4-dioxane 6965.47
    methyl acetate 4806.1
    THF 11909.54
    2-butanone 8168.27
    n-pentanol 3137.76
    sec-butanol 5164.18
    n-hexane 1882.82
    ethylene glycol 116.78
    NMP 5054.23
    cyclohexane 3669.11
    DMSO 5425.06
    n-butyl acetate 7141.18
    n-octanol 1524.3
    chloroform 10502.09
    n-propyl acetate 6886.69
    acetic acid 2644.98
    dichloromethane 10424.24
    cyclohexanone 14155.21
    propylene glycol 468.54
    isopropyl acetate 6534.36
    DMAc 4254.03
    2-ethoxyethanol 2982.88
    isopentanol 5006.35
    n-heptane 843.87
    ethyl formate 3168.38
    1,2-dichloroethane 8354.33
    n-hexanol 2842.37
    2-methoxyethanol 4279.62
    isobutyl acetate 3778.89
    tetrachloromethane 1964.15
    n-pentyl acetate 4738.35
    transcutol 10562.28
    n-heptanol 1439.11
    ethylbenzene 1599.4
    MIBK 4988.58
    2-propoxyethanol 3478.06
    tert-butanol 6521.41
    MTBE 8863.99
    2-butoxyethanol 2485.07
    propionic acid 2714.19
    o-xylene 1668.47
    formic acid 284.17
    diethyl ether 9109.03
    m-xylene 1729.21
    p-xylene 2316.6
    chlorobenzene 3839.19
    dimethyl carbonate 787.75
    n-octane 303.69
    formamide 637.17
    cyclopentanone 9453.21
    2-pentanone 8809.4
    anisole 2449.58
    cyclopentyl methyl ether 7252.17
    gamma-butyrolactone 7647.11
    1-methoxy-2-propanol 4004.04
    pyridine 7025.06
    3-pentanone 4782.16
    furfural 4651.92
    n-dodecane 145.54
    diethylene glycol 1176.74
    diisopropyl ether 2859.45
    tert-amyl alcohol 5601.98
    acetylacetone 6103.7
    n-hexadecane 183.23
    acetophenone 2443.18
    methyl propionate 4201.31
    isopentyl acetate 6407.55
    trichloroethylene 11877.85
    n-nonanol 1329.8
    cyclohexanol 6157.86
    benzyl alcohol 1673.8
    2-ethylhexanol 2360.15
    isooctanol 1399.97
    dipropyl ether 4393.09
    1,2-dichlorobenzene 3307.04
    ethyl lactate 1333.69
    propylene carbonate 4515.59
    n-methylformamide 2197.63
    2-pentanol 4271.9
    n-pentane 1147.98
    1-propoxy-2-propanol 3713.94
    1-methoxy-2-propyl acetate 4284.26
    2-(2-methoxypropoxy) propanol 1819.35
    mesitylene 1173.29
    ε-caprolactone 9514.34
    p-cymene 1009.46
    epichlorohydrin 8813.01
    1,1,1-trichloroethane 8558.62
    2-aminoethanol 671.43
    morpholine-4-carbaldehyde 4861.54
    sulfolane 7141.53
    2,2,4-trimethylpentane 485.22
    2-methyltetrahydrofuran 11800.21
    n-hexyl acetate 5192.93
    isooctane 378.19
    2-(2-butoxyethoxy)ethanol 2755.69
    sec-butyl acetate 4959.28
    tert-butyl acetate 6189.52
    decalin 908.81
    glycerin 452.38
    diglyme 5751.26
    acrylic acid 1294.09
    isopropyl myristate 1457.72
    n-butyric acid 6968.31
    acetyl acetate 3678.19
    di(2-ethylhexyl) phthalate 938.26
    ethyl propionate 4974.33
    nitromethane 5048.1
    1,2-diethoxyethane 5996.75
    benzonitrile 3054.06
    trioctyl phosphate 732.02
    1-bromopropane 6931.99
    gamma-valerolactone 10982.79
    n-decanol 838.32
    triethyl phosphate 1201.4
    4-methyl-2-pentanol 2271.32
    propionitrile 3721.3
    vinylene carbonate 3194.4
    1,1,2-trichlorotrifluoroethane 3822.5
    DMS 2141.51
    cumene 1015.14
    2-octanol 1342.75
    2-hexanone 6189.59
    octyl acetate 1729.81
    limonene 2197.59
    1,2-dimethoxyethane 7157.82
    ethyl orthosilicate 1310.97
    tributyl phosphate 1078.06
    diacetone alcohol 4221.45
    N,N-dimethylaniline 1547.34
    acrylonitrile 2969.36
    aniline 2633.16
    1,3-propanediol 1796.65
    bromobenzene 4424.76
    dibromomethane 8002.31
    1,1,2,2-tetrachloroethane 10620.63
    2-methyl-cyclohexyl acetate 2746.61
    tetrabutyl urea 1409.03
    diisobutyl methanol 1470.7
    2-phenylethanol 1690.77
    styrene 2104.74
    dioctyl adipate 1927.64
    dimethyl sulfate 1162.72
    ethyl butyrate 5095.68
    methyl lactate 1058.53
    butyl lactate 2317.21
    diethyl carbonate 2218.71
    propanediol butyl ether 1834.42
    triethyl orthoformate 2824.27
    p-tert-butyltoluene 949.41
    methyl 4-tert-butylbenzoate 1929.8
    morpholine 10767.33
    tert-butylamine 4700.0
    n-dodecanol 588.71
    dimethoxymethane 3526.12
    ethylene carbonate 3625.45
    cyrene 1304.81
    2-ethoxyethyl acetate 4183.62
    2-ethylhexyl acetate 4782.05
    1,2,4-trichlorobenzene 3501.79
    4-methylpyridine 7142.87
    dibutyl ether 4590.38
    2,6-dimethyl-4-heptanol 1470.7
    DEF 7003.85
    dimethyl isosorbide 3053.62
    tetrachloroethylene 6328.29
    eugenol 1545.51
    triacetin 2999.63
    span 80 1972.74
    1,4-butanediol 603.37
    1,1-dichloroethane 9519.16
    2-methyl-1-pentanol 2934.03
    methyl formate 1269.39
    2-methyl-1-butanol 4142.67
    n-decane 358.47
    butyronitrile 5722.08
    3,7-dimethyl-1-octanol 1796.59
    1-chlorooctane 1662.07
    1-chlorotetradecane 466.72
    n-nonane 390.7
    undecane 210.1
    tert-butylcyclohexane 714.69
    cyclooctane 771.7
    cyclopentanol 5121.12
    tetrahydropyran 15058.54
    tert-amyl methyl ether 5002.45
    2,5,8-trioxanonane 2856.27
    1-hexene 4987.48
    2-isopropoxyethanol 2616.4
    2,2,2-trifluoroethanol 602.96
    methyl butyrate 7478.17

    Scent© AI

1 of 4
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
Name CAS Botanical Proportion
Dendranthema vestitum flower absolute (China) Dendranthema vestitum (Hemsl.) Ling ex Shih, fam. Asteraceae (Compositae) 1.5%