Undecanoic acid, 2-methylpropyl ester

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  • Identifiers

    CAS number
    62637-96-1

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCCC(=O)OCC(C)C

  • Odor profile

    Oily 74.96%
    Fatty 70.83%
    Fruity 66.22%
    Winey 59.43%
    Waxy 58.51%
    Cognac 52.85%
    Fermented 42.47%
    Brandy 38.31%
    Sweet 37.92%
    Creamy 37.23%

    Scent© AI

  • Properties

    XLogP3-AA
    6.1

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    287°C

    Flash point est.
    121.15 ˚C

  • Synonyms

    • Undecanoic acid, 2-methylpropyl ester
    • 62637-96-1
    • Undecanoic acid 2-methylpropyl ester
    • DTXSID5069598
    • 2-methylpropyl undecanoate
    • Undecansaureisobutylester
    • SCHEMBL2396865
    • Undecanoic acid, isobutyl ester
    • DTXCID3043443
    • DB-361766

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5366.14
    methanol 3920.55
    isopropanol 6299.67
    water 0.06
    ethyl acetate 8674.49
    n-propanol 5008.89
    acetone 9957.77
    n-butanol 5139.55
    acetonitrile 4600.94
    DMF 5222.71
    toluene 2746.88
    isobutanol 4453.07
    1,4-dioxane 6194.64
    methyl acetate 4963.52
    THF 9312.22
    2-butanone 7621.95
    n-pentanol 3466.87
    sec-butanol 5505.58
    n-hexane 2147.96
    ethylene glycol 149.08
    NMP 3839.97
    cyclohexane 3057.45
    DMSO 4679.57
    n-butyl acetate 7928.98
    n-octanol 1825.74
    chloroform 9880.26
    n-propyl acetate 6861.97
    acetic acid 2358.04
    dichloromethane 9392.65
    cyclohexanone 10956.59
    propylene glycol 513.37
    isopropyl acetate 6437.46
    DMAc 4229.51
    2-ethoxyethanol 3231.14
    isopentanol 5366.42
    n-heptane 934.14
    ethyl formate 3463.72
    1,2-dichloroethane 7292.82
    n-hexanol 3524.66
    2-methoxyethanol 4171.93
    isobutyl acetate 4064.04
    tetrachloromethane 2035.31
    n-pentyl acetate 4816.37
    transcutol 8943.49
    n-heptanol 1733.22
    ethylbenzene 1791.35
    MIBK 4777.16
    2-propoxyethanol 3917.5
    tert-butanol 7248.25
    MTBE 9846.13
    2-butoxyethanol 2723.42
    propionic acid 2462.89
    o-xylene 1746.53
    formic acid 294.29
    diethyl ether 8380.11
    m-xylene 1835.55
    p-xylene 2539.38
    chlorobenzene 3505.4
    dimethyl carbonate 834.01
    n-octane 389.88
    formamide 556.96
    cyclopentanone 7487.12
    2-pentanone 8040.53
    anisole 2618.78
    cyclopentyl methyl ether 6007.43
    gamma-butyrolactone 5965.99
    1-methoxy-2-propanol 3918.78
    pyridine 6001.04
    3-pentanone 4275.43
    furfural 4205.11
    n-dodecane 190.2
    diethylene glycol 1302.27
    diisopropyl ether 2848.64
    tert-amyl alcohol 6059.48
    acetylacetone 5792.73
    n-hexadecane 233.02
    acetophenone 2549.06
    methyl propionate 3936.69
    isopentyl acetate 7017.3
    trichloroethylene 10768.59
    n-nonanol 1500.53
    cyclohexanol 5557.47
    benzyl alcohol 1791.1
    2-ethylhexanol 2800.37
    isooctanol 1670.76
    dipropyl ether 4561.49
    1,2-dichlorobenzene 3149.24
    ethyl lactate 1316.07
    propylene carbonate 3906.3
    n-methylformamide 2217.93
    2-pentanol 4554.61
    n-pentane 1213.46
    1-propoxy-2-propanol 4069.79
    1-methoxy-2-propyl acetate 4024.72
    2-(2-methoxypropoxy) propanol 1823.19
    mesitylene 1220.78
    ε-caprolactone 7899.9
    p-cymene 1127.74
    epichlorohydrin 7579.59
    1,1,1-trichloroethane 8130.76
    2-aminoethanol 722.06
    morpholine-4-carbaldehyde 4161.8
    sulfolane 5445.98
    2,2,4-trimethylpentane 542.01
    2-methyltetrahydrofuran 9135.29
    n-hexyl acetate 5095.61
    isooctane 444.82
    2-(2-butoxyethoxy)ethanol 2614.47
    sec-butyl acetate 5020.08
    tert-butyl acetate 5748.3
    decalin 941.65
    glycerin 498.49
    diglyme 5520.57
    acrylic acid 1269.24
    isopropyl myristate 1512.66
    n-butyric acid 6398.0
    acetyl acetate 3501.69
    di(2-ethylhexyl) phthalate 957.29
    ethyl propionate 4963.36
    nitromethane 4627.4
    1,2-diethoxyethane 5465.93
    benzonitrile 3371.56
    trioctyl phosphate 791.78
    1-bromopropane 6284.45
    gamma-valerolactone 8663.65
    n-decanol 949.68
    triethyl phosphate 1171.48
    4-methyl-2-pentanol 2525.6
    propionitrile 4378.69
    vinylene carbonate 2950.92
    1,1,2-trichlorotrifluoroethane 3565.86
    DMS 2042.33
    cumene 1190.23
    2-octanol 1595.0
    2-hexanone 6219.77
    octyl acetate 1735.15
    limonene 2150.78
    1,2-dimethoxyethane 7647.83
    ethyl orthosilicate 1283.98
    tributyl phosphate 1121.92
    diacetone alcohol 4019.29
    N,N-dimethylaniline 1686.92
    acrylonitrile 3564.36
    aniline 2459.02
    1,3-propanediol 1823.09
    bromobenzene 4076.79
    dibromomethane 7216.75
    1,1,2,2-tetrachloroethane 9536.96
    2-methyl-cyclohexyl acetate 2625.38
    tetrabutyl urea 1370.06
    diisobutyl methanol 1652.03
    2-phenylethanol 1794.59
    styrene 2287.32
    dioctyl adipate 1869.32
    dimethyl sulfate 1106.08
    ethyl butyrate 4989.32
    methyl lactate 1035.72
    butyl lactate 2352.48
    diethyl carbonate 2233.38
    propanediol butyl ether 1988.77
    triethyl orthoformate 2664.06
    p-tert-butyltoluene 1024.89
    methyl 4-tert-butylbenzoate 1901.46
    morpholine 8800.75
    tert-butylamine 4815.96
    n-dodecanol 678.97
    dimethoxymethane 3422.75
    ethylene carbonate 3237.78
    cyrene 1312.09
    2-ethoxyethyl acetate 3906.09
    2-ethylhexyl acetate 5169.21
    1,2,4-trichlorobenzene 3173.22
    4-methylpyridine 6589.68
    dibutyl ether 4443.96
    2,6-dimethyl-4-heptanol 1652.03
    DEF 6454.57
    dimethyl isosorbide 2790.19
    tetrachloroethylene 5850.79
    eugenol 1638.93
    triacetin 2719.06
    span 80 1896.92
    1,4-butanediol 768.71
    1,1-dichloroethane 9026.29
    2-methyl-1-pentanol 3343.11
    methyl formate 1387.06
    2-methyl-1-butanol 4427.76
    n-decane 438.97
    butyronitrile 6463.36
    3,7-dimethyl-1-octanol 2041.77
    1-chlorooctane 1815.26
    1-chlorotetradecane 528.28
    n-nonane 499.63
    undecane 268.53
    tert-butylcyclohexane 819.53
    cyclooctane 741.79
    cyclopentanol 4457.35
    tetrahydropyran 11789.48
    tert-amyl methyl ether 5425.7
    2,5,8-trioxanonane 2856.99
    1-hexene 5567.43
    2-isopropoxyethanol 2892.54
    2,2,2-trifluoroethanol 555.17
    methyl butyrate 7500.67

    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