Undecanoic acid, heptyl ester

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  • Identifiers

    Molecular formula
    C18H36O2

    SMILES
    CCCCCCCCCCC(=O)OCCCCCCC

  • Odor profile

    Oily 74.42%
    Fatty 67.57%
    Fruity 67.34%
    Waxy 59.88%
    Floral 52.37%
    Winey 51.67%
    Cognac 48.72%
    Sweet 42.42%
    Rose 42.12%
    Orange 35.61%

    Scent© AI

  • Properties

    XLogP3-AA
    7.6

    Molecular weight
    284.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point est.
    148.16 ˚C

  • Synonyms

    • heptyl undecanoate
    • Undecanoic acid, heptyl ester
    • SCHEMBL2395962
    • MIHLQHIALQPURG-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1614.56
    methanol 1312.07
    isopropanol 2195.33
    water 0.05
    ethyl acetate 6381.88
    n-propanol 1998.94
    acetone 5727.55
    n-butanol 2199.66
    acetonitrile 2203.37
    DMF 4999.66
    toluene 2078.66
    isobutanol 2002.2
    1,4-dioxane 4273.95
    methyl acetate 3467.68
    THF 8007.64
    2-butanone 5400.27
    n-pentanol 1443.97
    sec-butanol 2331.59
    n-hexane 1073.84
    ethylene glycol 63.49
    NMP 6161.18
    cyclohexane 2974.51
    DMSO 5196.51
    n-butyl acetate 5466.61
    n-octanol 1047.11
    chloroform 8088.27
    n-propyl acetate 5764.9
    acetic acid 1466.76
    dichloromethane 9024.42
    cyclohexanone 11674.4
    propylene glycol 221.57
    isopropyl acetate 4926.88
    DMAc 5076.84
    2-ethoxyethanol 1946.09
    isopentanol 2558.67
    n-heptane 693.15
    ethyl formate 2240.28
    1,2-dichloroethane 7908.87
    n-hexanol 1345.66
    2-methoxyethanol 2499.68
    isobutyl acetate 3182.0
    tetrachloromethane 2057.05
    n-pentyl acetate 4933.38
    transcutol 7783.17
    n-heptanol 949.59
    ethylbenzene 1284.47
    MIBK 4135.94
    2-propoxyethanol 2148.19
    tert-butanol 3148.42
    MTBE 5364.86
    2-butoxyethanol 1929.41
    propionic acid 1782.05
    o-xylene 1532.06
    formic acid 193.51
    diethyl ether 5262.43
    m-xylene 1422.82
    p-xylene 1996.09
    chlorobenzene 3263.29
    dimethyl carbonate 878.47
    n-octane 252.35
    formamide 527.26
    cyclopentanone 8990.56
    2-pentanone 6183.07
    anisole 2199.33
    cyclopentyl methyl ether 6029.27
    gamma-butyrolactone 7381.03
    1-methoxy-2-propanol 2615.64
    pyridine 5456.86
    3-pentanone 4246.75
    furfural 4607.94
    n-dodecane 112.75
    diethylene glycol 704.97
    diisopropyl ether 2041.2
    tert-amyl alcohol 2970.96
    acetylacetone 5247.05
    n-hexadecane 145.72
    acetophenone 2453.75
    methyl propionate 3657.06
    isopentyl acetate 4940.97
    trichloroethylene 11229.54
    n-nonanol 937.36
    cyclohexanol 4003.16
    benzyl alcohol 1234.56
    2-ethylhexanol 1500.55
    isooctanol 1012.68
    dipropyl ether 3500.65
    1,2-dichlorobenzene 3281.25
    ethyl lactate 1161.81
    propylene carbonate 4022.03
    n-methylformamide 1873.31
    2-pentanol 2190.38
    n-pentane 679.45
    1-propoxy-2-propanol 2505.38
    1-methoxy-2-propyl acetate 3592.9
    2-(2-methoxypropoxy) propanol 1388.24
    mesitylene 1043.87
    ε-caprolactone 8138.58
    p-cymene 909.91
    epichlorohydrin 7520.59
    1,1,1-trichloroethane 7799.71
    2-aminoethanol 357.71
    morpholine-4-carbaldehyde 4661.1
    sulfolane 8556.21
    2,2,4-trimethylpentane 373.47
    2-methyltetrahydrofuran 8177.4
    n-hexyl acetate 4607.58
    isooctane 255.31
    2-(2-butoxyethoxy)ethanol 2151.61
    sec-butyl acetate 4078.47
    tert-butyl acetate 5290.21
    decalin 780.61
    glycerin 275.93
    diglyme 5197.55
    acrylic acid 956.4
    isopropyl myristate 1314.76
    n-butyric acid 4554.01
    acetyl acetate 2878.72
    di(2-ethylhexyl) phthalate 787.22
    ethyl propionate 4734.82
    nitromethane 3857.99
    1,2-diethoxyethane 4856.17
    benzonitrile 2482.7
    trioctyl phosphate 660.75
    1-bromopropane 5345.54
    gamma-valerolactone 9468.36
    n-decanol 574.78
    triethyl phosphate 1305.76
    4-methyl-2-pentanol 1304.2
    propionitrile 2585.77
    vinylene carbonate 3037.16
    1,1,2-trichlorotrifluoroethane 3782.32
    DMS 2148.05
    cumene 855.59
    2-octanol 979.01
    2-hexanone 4342.43
    octyl acetate 1536.93
    limonene 1944.99
    1,2-dimethoxyethane 5150.93
    ethyl orthosilicate 1358.84
    tributyl phosphate 999.75
    diacetone alcohol 3518.72
    N,N-dimethylaniline 1511.37
    acrylonitrile 2341.65
    aniline 1944.67
    1,3-propanediol 923.2
    bromobenzene 4084.95
    dibromomethane 6533.21
    1,1,2,2-tetrachloroethane 10120.12
    2-methyl-cyclohexyl acetate 2541.29
    tetrabutyl urea 1396.73
    diisobutyl methanol 1026.33
    2-phenylethanol 1217.76
    styrene 1772.36
    dioctyl adipate 1791.23
    dimethyl sulfate 1593.09
    ethyl butyrate 4535.67
    methyl lactate 967.27
    butyl lactate 2293.65
    diethyl carbonate 2083.22
    propanediol butyl ether 1376.67
    triethyl orthoformate 2704.55
    p-tert-butyltoluene 826.83
    methyl 4-tert-butylbenzoate 2006.52
    morpholine 6650.51
    tert-butylamine 2212.92
    n-dodecanol 411.34
    dimethoxymethane 2835.61
    ethylene carbonate 3233.07
    cyrene 1177.3
    2-ethoxyethyl acetate 4098.83
    2-ethylhexyl acetate 4053.87
    1,2,4-trichlorobenzene 3467.4
    4-methylpyridine 5676.84
    dibutyl ether 3901.69
    2,6-dimethyl-4-heptanol 1026.33
    DEF 6797.83
    dimethyl isosorbide 2845.6
    tetrachloroethylene 6465.9
    eugenol 1446.44
    triacetin 2987.73
    span 80 1493.35
    1,4-butanediol 333.7
    1,1-dichloroethane 7331.4
    2-methyl-1-pentanol 1585.41
    methyl formate 1099.75
    2-methyl-1-butanol 2247.8
    n-decane 290.42
    butyronitrile 3433.45
    3,7-dimethyl-1-octanol 1219.7
    1-chlorooctane 1485.48
    1-chlorotetradecane 395.72
    n-nonane 317.1
    undecane 165.05
    tert-butylcyclohexane 555.65
    cyclooctane 662.6
    cyclopentanol 3411.13
    tetrahydropyran 9108.32
    tert-amyl methyl ether 3811.58
    2,5,8-trioxanonane 2413.67
    1-hexene 2456.57
    2-isopropoxyethanol 1773.89
    2,2,2-trifluoroethanol 518.36
    methyl butyrate 6628.34

    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