Undecanoic acid, propyl ester

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  • Identifiers

    Molecular formula
    C14H28O2

    SMILES
    CCCCCCCCCCC(=O)OCCC

  • Odor profile

    Oily 74.48%
    Fatty 73.31%
    Fruity 72.3%
    Waxy 62.88%
    Winey 62.25%
    Cognac 55.34%
    Sweet 47.05%
    Floral 41.83%
    Creamy 41.52%
    Brandy 40.12%

    Scent© AI

  • Properties

    XLogP3-AA
    5.6

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    279°C

    Flash point est.
    116.6 ˚C

  • Synonyms

    • Undecanoic acid, propyl ester
    • SCHEMBL605759
    • ILQYZJGHYZFJPP-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7100.86
    methanol 6256.09
    isopropanol 8097.23
    water 0.06
    ethyl acetate 10307.37
    n-propanol 7039.34
    acetone 15045.75
    n-butanol 6399.47
    acetonitrile 7087.63
    DMF 8001.19
    toluene 3259.37
    isobutanol 5882.19
    1,4-dioxane 8195.04
    methyl acetate 6371.78
    THF 11468.33
    2-butanone 10439.68
    n-pentanol 4308.98
    sec-butanol 6996.63
    n-hexane 3024.18
    ethylene glycol 239.88
    NMP 5518.35
    cyclohexane 4132.0
    DMSO 8211.04
    n-butyl acetate 9005.83
    n-octanol 1977.07
    chloroform 12559.58
    n-propyl acetate 8275.89
    acetic acid 3324.97
    dichloromethane 13067.41
    cyclohexanone 14611.83
    propylene glycol 678.02
    isopropyl acetate 7192.86
    DMAc 5380.48
    2-ethoxyethanol 3888.73
    isopentanol 6166.47
    n-heptane 1132.11
    ethyl formate 4253.62
    1,2-dichloroethane 9975.23
    n-hexanol 3855.42
    2-methoxyethanol 5630.65
    isobutyl acetate 4408.42
    tetrachloromethane 2500.67
    n-pentyl acetate 5371.63
    transcutol 10342.33
    n-heptanol 1764.35
    ethylbenzene 1971.99
    MIBK 5300.45
    2-propoxyethanol 4317.89
    tert-butanol 8869.71
    MTBE 11306.65
    2-butoxyethanol 2917.76
    propionic acid 3495.36
    o-xylene 1834.41
    formic acid 414.94
    diethyl ether 12159.25
    m-xylene 1918.05
    p-xylene 2673.19
    chlorobenzene 4304.7
    dimethyl carbonate 1069.7
    n-octane 420.52
    formamide 878.72
    cyclopentanone 10553.41
    2-pentanone 10562.68
    anisole 2943.13
    cyclopentyl methyl ether 7868.39
    gamma-butyrolactone 8136.7
    1-methoxy-2-propanol 4822.82
    pyridine 8915.15
    3-pentanone 5719.42
    furfural 5270.19
    n-dodecane 190.92
    diethylene glycol 1541.78
    diisopropyl ether 3172.1
    tert-amyl alcohol 7018.01
    acetylacetone 6955.9
    n-hexadecane 240.47
    acetophenone 2844.52
    methyl propionate 5100.68
    isopentyl acetate 6959.03
    trichloroethylene 13526.98
    n-nonanol 1610.85
    cyclohexanol 6992.1
    benzyl alcohol 2063.21
    2-ethylhexanol 2960.96
    isooctanol 1654.43
    dipropyl ether 5660.16
    1,2-dichlorobenzene 3569.93
    ethyl lactate 1516.18
    propylene carbonate 4487.81
    n-methylformamide 3559.58
    2-pentanol 5599.82
    n-pentane 1654.38
    1-propoxy-2-propanol 4420.3
    1-methoxy-2-propyl acetate 4318.93
    2-(2-methoxypropoxy) propanol 1821.75
    mesitylene 1320.14
    ε-caprolactone 9739.94
    p-cymene 1135.43
    epichlorohydrin 9326.31
    1,1,1-trichloroethane 9998.35
    2-aminoethanol 1078.8
    morpholine-4-carbaldehyde 5212.71
    sulfolane 7642.46
    2,2,4-trimethylpentane 540.58
    2-methyltetrahydrofuran 11974.48
    n-hexyl acetate 5602.35
    isooctane 443.96
    2-(2-butoxyethoxy)ethanol 2838.79
    sec-butyl acetate 5362.7
    tert-butyl acetate 6228.42
    decalin 1057.54
    glycerin 666.71
    diglyme 6024.12
    acrylic acid 1825.93
    isopropyl myristate 1525.65
    n-butyric acid 8175.15
    acetyl acetate 3914.06
    di(2-ethylhexyl) phthalate 965.96
    ethyl propionate 5938.08
    nitromethane 6757.6
    1,2-diethoxyethane 6774.16
    benzonitrile 3897.57
    trioctyl phosphate 826.2
    1-bromopropane 8974.11
    gamma-valerolactone 11030.77
    n-decanol 981.08
    triethyl phosphate 1331.11
    4-methyl-2-pentanol 2635.21
    propionitrile 6305.04
    vinylene carbonate 3598.85
    1,1,2-trichlorotrifluoroethane 4556.84
    DMS 2288.41
    cumene 1214.39
    2-octanol 1648.08
    2-hexanone 7585.81
    octyl acetate 1807.82
    limonene 2291.69
    1,2-dimethoxyethane 9499.96
    ethyl orthosilicate 1398.82
    tributyl phosphate 1154.67
    diacetone alcohol 4368.52
    N,N-dimethylaniline 1858.21
    acrylonitrile 5381.43
    aniline 3212.65
    1,3-propanediol 2405.12
    bromobenzene 5177.66
    dibromomethane 10293.27
    1,1,2,2-tetrachloroethane 11630.58
    2-methyl-cyclohexyl acetate 2714.01
    tetrabutyl urea 1478.72
    diisobutyl methanol 1682.95
    2-phenylethanol 1942.2
    styrene 2741.51
    dioctyl adipate 1924.84
    dimethyl sulfate 1479.75
    ethyl butyrate 5546.72
    methyl lactate 1290.95
    butyl lactate 2609.12
    diethyl carbonate 2473.34
    propanediol butyl ether 2148.18
    triethyl orthoformate 2910.5
    p-tert-butyltoluene 1025.46
    methyl 4-tert-butylbenzoate 1981.39
    morpholine 12117.06
    tert-butylamine 6019.49
    n-dodecanol 689.84
    dimethoxymethane 4651.56
    ethylene carbonate 3851.62
    cyrene 1345.97
    2-ethoxyethyl acetate 4284.53
    2-ethylhexyl acetate 5229.02
    1,2,4-trichlorobenzene 3649.73
    4-methylpyridine 8538.51
    dibutyl ether 5515.1
    2,6-dimethyl-4-heptanol 1682.95
    DEF 9086.47
    dimethyl isosorbide 2982.54
    tetrachloroethylene 7476.88
    eugenol 1661.42
    triacetin 2920.74
    span 80 1991.62
    1,4-butanediol 916.06
    1,1-dichloroethane 11701.69
    2-methyl-1-pentanol 3802.13
    methyl formate 1993.91
    2-methyl-1-butanol 5330.4
    n-decane 474.16
    butyronitrile 8307.32
    3,7-dimethyl-1-octanol 2006.78
    1-chlorooctane 2008.95
    1-chlorotetradecane 539.08
    n-nonane 543.26
    undecane 277.02
    tert-butylcyclohexane 864.81
    cyclooctane 899.62
    cyclopentanol 6296.06
    tetrahydropyran 16596.37
    tert-amyl methyl ether 6297.51
    2,5,8-trioxanonane 3086.33
    1-hexene 7750.12
    2-isopropoxyethanol 3304.6
    2,2,2-trifluoroethanol 732.68
    methyl butyrate 9121.83

    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