Heptyl Undecylenate

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  • Identifiers

    CAS number
    68141-27-5

    Molecular formula
    C18H34O2

    SMILES
    CCCCCCCOC(=O)CCCCCCCCC=C

  • Odor profile

    Fragrance
    Fatty 73.79%
    Fruity 70.74%
    Waxy 66.67%
    Oily 60.22%
    Floral 51.54%
    Rose 49.47%
    Winey 45.49%
    Cognac 40.57%
    Sweet 40.5%
    Citrus 36.19%

     

    Flavor
    Waxy 67.22%
    Fruity 52.92%
    Soapy 44.03%
    Oily 43.1%
    Fatty 41.84%
    Sweet 36.55%
    Creamy 35.42%
    Floral 35.37%
    Clean 31.32%
    Coconut 28.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    6.45 (neutral)

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 150.63 ˚C est.

  • Synonyms

    • Heptyl undecylenate
    • Heptyl undec-10-enoate
    • 68141-27-5
    • 10-Undecenoic acid, heptyl ester
    • Heptyl 10-undecylenate
    • W77QUB6GXO
    • 10-UNDECENOIC ACID HEPTYL ESTER
    • LEXFEEL NATURAL
    • Heptyl 10-undecenoate
    • EINECS 268-850-7
    • DTXSID9071189
    • UNII-W77QUB6GXO
    • SCHEMBL502570
    • DTXCID0045624
    • NLMOQNHZOQGLSZ-UHFFFAOYSA-N
    • HEPTYL UNDECYLENATE [INCI]
    • AKOS024331357
    • UNDEC-10-ENOIC ACID HEPTYL ESTER
    • NS00019576
    • NS00076874
    • Q27292424

  • Applications

    Heptyl Undecylenate (CAS 68141-27-5) is a fatty-ester commonly used as an emollient and solvent in cosmetics and personal care formulations, providing slip and a light skin-conditioning feel in creams, lotions, and lip products. In perfumery and fragrance applications, it serves as a solvent and carrier for aroma compounds and can function as a light fixative in certain formulations. It is also used as a plasticizer or processing aid in polymers and plastics, helping improve flexibility and processing characteristics, and as a solvent or processing aid in coatings and inks. Additionally, in household products, it can act as a conditioning emollient and solvent component in cleaners and fabric-care formulations, contributing to product feel and spread.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2366.98
    methanol 1927.7
    isopropanol 2601.29
    water 0.03
    ethyl acetate 5400.07
    n-propanol 2407.71
    acetone 5629.15
    n-butanol 2456.43
    acetonitrile 1843.79
    DMF 4035.39
    toluene 1733.35
    isobutanol 2103.06
    1,4-dioxane 3610.35
    methyl acetate 2747.68
    THF 7300.01
    2-butanone 4957.39
    n-pentanol 1665.63
    sec-butanol 2606.36
    n-hexane 883.81
    ethylene glycol 68.62
    NMP 4196.51
    cyclohexane 2015.98
    DMSO 4969.25
    n-butyl acetate 4140.58
    n-octanol 817.28
    chloroform 5710.72
    n-propyl acetate 4274.9
    acetic acid 1284.44
    dichloromethane 6667.08
    cyclohexanone 8518.69
    propylene glycol 249.94
    isopropyl acetate 3867.64
    DMAc 4029.1
    2-ethoxyethanol 1880.4
    isopentanol 2635.72
    n-heptane 452.95
    ethyl formate 1711.79
    1,2-dichloroethane 5902.64
    n-hexanol 1407.55
    2-methoxyethanol 2516.02
    isobutyl acetate 2269.34
    tetrachloromethane 1190.65
    n-pentyl acetate 3319.7
    transcutol 7992.02
    n-heptanol 768.24
    ethylbenzene 1008.18
    MIBK 3246.59
    2-propoxyethanol 2101.47
    tert-butanol 3075.89
    MTBE 4996.94
    2-butoxyethanol 1484.78
    propionic acid 1393.49
    o-xylene 1168.94
    formic acid 184.85
    diethyl ether 5363.37
    m-xylene 1169.97
    p-xylene 1364.62
    chlorobenzene 2268.68
    dimethyl carbonate 666.81
    n-octane 156.92
    formamide 463.22
    cyclopentanone 6294.69
    2-pentanone 5412.63
    anisole 1701.25
    cyclopentyl methyl ether 4949.7
    gamma-butyrolactone 5048.25
    1-methoxy-2-propanol 2507.05
    pyridine 4062.86
    3-pentanone 3323.76
    furfural 3251.27
    n-dodecane 73.49
    diethylene glycol 741.74
    diisopropyl ether 1682.93
    tert-amyl alcohol 2959.13
    acetylacetone 4061.06
    n-hexadecane 93.93
    acetophenone 1765.95
    methyl propionate 2881.01
    isopentyl acetate 3587.22
    trichloroethylene 8135.41
    n-nonanol 726.81
    cyclohexanol 3373.56
    benzyl alcohol 1069.64
    2-ethylhexanol 1277.93
    isooctanol 783.61
    dipropyl ether 2639.82
    1,2-dichlorobenzene 2229.04
    ethyl lactate 867.34
    propylene carbonate 2726.8
    n-methylformamide 1480.36
    2-pentanol 2306.74
    n-pentane 608.94
    1-propoxy-2-propanol 2177.28
    1-methoxy-2-propyl acetate 2799.36
    2-(2-methoxypropoxy) propanol 1224.48
    mesitylene 798.0
    ε-caprolactone 5753.96
    p-cymene 615.0
    epichlorohydrin 6154.7
    1,1,1-trichloroethane 5115.55
    2-aminoethanol 395.21
    morpholine-4-carbaldehyde 3305.23
    sulfolane 5658.28
    2,2,4-trimethylpentane 296.05
    2-methyltetrahydrofuran 7159.67
    n-hexyl acetate 3257.04
    isooctane 216.26
    2-(2-butoxyethoxy)ethanol 1889.15
    sec-butyl acetate 2932.65
    tert-butyl acetate 3906.03
    decalin 536.39
    glycerin 281.02
    diglyme 4026.98
    acrylic acid 718.65
    isopropyl myristate 889.81
    n-butyric acid 3639.99
    acetyl acetate 2138.52
    di(2-ethylhexyl) phthalate 580.62
    ethyl propionate 3416.83
    nitromethane 3036.96
    1,2-diethoxyethane 4416.32
    benzonitrile 1791.18
    trioctyl phosphate 471.26
    1-bromopropane 4428.11
    gamma-valerolactone 6888.63
    n-decanol 452.15
    triethyl phosphate 847.93
    4-methyl-2-pentanol 1215.04
    propionitrile 1974.76
    vinylene carbonate 1926.34
    1,1,2-trichlorotrifluoroethane 2743.21
    DMS 1534.08
    cumene 650.53
    2-octanol 753.0
    2-hexanone 3645.51
    octyl acetate 1060.61
    limonene 1362.91
    1,2-dimethoxyethane 4274.82
    ethyl orthosilicate 889.63
    tributyl phosphate 699.08
    diacetone alcohol 2883.68
    N,N-dimethylaniline 1144.0
    acrylonitrile 1667.14
    aniline 1600.38
    1,3-propanediol 995.36
    bromobenzene 2798.93
    dibromomethane 4903.43
    1,1,2,2-tetrachloroethane 7200.82
    2-methyl-cyclohexyl acetate 1748.05
    tetrabutyl urea 959.04
    diisobutyl methanol 827.86
    2-phenylethanol 1028.97
    styrene 1381.62
    dioctyl adipate 1239.1
    dimethyl sulfate 1117.53
    ethyl butyrate 3051.06
    methyl lactate 760.31
    butyl lactate 1681.36
    diethyl carbonate 1427.29
    propanediol butyl ether 1176.71
    triethyl orthoformate 1735.83
    p-tert-butyltoluene 573.79
    methyl 4-tert-butylbenzoate 1379.16
    morpholine 5900.16
    tert-butylamine 2047.57
    n-dodecanol 320.87
    dimethoxymethane 2774.07
    ethylene carbonate 2050.59
    cyrene 952.46
    2-ethoxyethyl acetate 3125.99
    2-ethylhexyl acetate 2909.27
    1,2,4-trichlorobenzene 2339.19
    4-methylpyridine 4382.1
    dibutyl ether 2918.47
    2,6-dimethyl-4-heptanol 827.86
    DEF 4970.65
    dimethyl isosorbide 2277.53
    tetrachloroethylene 4473.86
    eugenol 1081.88
    triacetin 2101.67
    span 80 1228.61
    1,4-butanediol 346.82
    1,1-dichloroethane 5464.08
    2-methyl-1-pentanol 1705.14
    methyl formate 870.9
    2-methyl-1-butanol 2301.76
    n-decane 180.32
    butyronitrile 2839.6
    3,7-dimethyl-1-octanol 985.76
    1-chlorooctane 987.16
    1-chlorotetradecane 257.4
    n-nonane 199.46
    undecane 105.55
    tert-butylcyclohexane 395.68
    cyclooctane 455.73
    cyclopentanol 2737.77
    tetrahydropyran 8337.5
    tert-amyl methyl ether 3397.81
    2,5,8-trioxanonane 2092.83
    1-hexene 2431.54
    2-isopropoxyethanol 1680.39
    2,2,2-trifluoroethanol 355.56
    methyl butyrate 4653.95

    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