10-Undecenoic acid, pentyl ester

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  • Identifiers

    CAS number
    18451-96-2

    Molecular formula
    C16H30O2

    SMILES
    CCCCCOC(=O)CCCCCCCCC=C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 78.15%
    Fatty 73.86%
    Waxy 65.36%
    Oily 59.9%
    Winey 56.27%
    Cognac 47.55%
    Floral 47.26%
    Rose 45.96%
    Sweet 44.25%
    Pineapple 38.26%

     

    Flavor
    Waxy 68.07%
    Fruity 63.43%
    Soapy 43.47%
    Oily 41.75%
    Floral 38.73%
    Sweet 38.4%
    Fatty 37.06%
    Creamy 35.67%
    Green 35.55%
    Clean 33.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    6.49 (neutral)

    Molecular weight
    254.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 137.3 ˚C est.

  • Synonyms

    • 10-Undecenoic acid, pentyl ester
    • Amyl undecylenate
    • 18451-96-2
    • EINECS 242-337-8
    • DTXSID0066379
    • RefChem:437092
    • DTXCID1035864
    • Pentyl undec-10-enoate
    • Pentyl 10-undecenoate
    • SCHEMBL3111400
    • NS00026057
    • 18451-96-2

  • Applications

    10-Undecenoic acid, pentyl ester is used primarily as a fragrance ingredient and fixative in perfumery and cosmetics, helping to stabilize and prolong aroma in personal care formulations. It can also function as a plasticizer and a synthetic intermediate for polymer and coating formulations, providing flexibility in polyester, paint, and ink systems. In addition, it may be used as a solvent or processing aid in cleaning and household products, and as a reactive intermediate for making specialty esters and fragrance-related materials. Depending on the formulation, it may be considered an emollient constituent or fragrance base in cosmetic emulsions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3380.18
    methanol 3096.23
    isopropanol 3288.56
    water 0.03
    ethyl acetate 5211.11
    n-propanol 3093.54
    acetone 6415.27
    n-butanol 3127.05
    acetonitrile 2334.56
    DMF 4251.02
    toluene 1889.94
    isobutanol 2602.05
    1,4-dioxane 4045.62
    methyl acetate 2795.53
    THF 7185.8
    2-butanone 5111.9
    n-pentanol 2114.11
    sec-butanol 3181.57
    n-hexane 1119.58
    ethylene glycol 107.84
    NMP 3510.7
    cyclohexane 1998.13
    DMSO 5245.46
    n-butyl acetate 4065.19
    n-octanol 817.25
    chloroform 5916.89
    n-propyl acetate 3882.88
    acetic acid 1612.14
    dichloromethane 6581.0
    cyclohexanone 7845.89
    propylene glycol 332.24
    isopropyl acetate 3612.61
    DMAc 3631.14
    2-ethoxyethanol 2073.72
    isopentanol 3073.85
    n-heptane 433.59
    ethyl formate 1753.6
    1,2-dichloroethane 5862.5
    n-hexanol 1821.14
    2-methoxyethanol 2880.26
    isobutyl acetate 2066.45
    tetrachloromethane 1073.2
    n-pentyl acetate 2630.72
    transcutol 7776.29
    n-heptanol 787.79
    ethylbenzene 1077.04
    MIBK 2833.23
    2-propoxyethanol 2372.98
    tert-butanol 3586.91
    MTBE 5238.17
    2-butoxyethanol 1445.66
    propionic acid 1519.22
    o-xylene 1123.41
    formic acid 245.93
    diethyl ether 6095.67
    m-xylene 1193.42
    p-xylene 1353.45
    chlorobenzene 2349.38
    dimethyl carbonate 614.32
    n-octane 147.11
    formamide 531.34
    cyclopentanone 5611.01
    2-pentanone 5370.74
    anisole 1695.23
    cyclopentyl methyl ether 4527.9
    gamma-butyrolactone 4455.81
    1-methoxy-2-propanol 2528.32
    pyridine 4405.63
    3-pentanone 3143.01
    furfural 3038.77
    n-dodecane 72.27
    diethylene glycol 925.04
    diisopropyl ether 1632.97
    tert-amyl alcohol 3240.73
    acetylacetone 3691.52
    n-hexadecane 90.86
    acetophenone 1644.55
    methyl propionate 2658.71
    isopentyl acetate 3380.61
    trichloroethylene 7828.16
    n-nonanol 711.93
    cyclohexanol 3584.77
    benzyl alcohol 1169.6
    2-ethylhexanol 1412.63
    isooctanol 753.66
    dipropyl ether 2538.72
    1,2-dichlorobenzene 2117.91
    ethyl lactate 783.81
    propylene carbonate 2416.32
    n-methylformamide 1614.58
    2-pentanol 2696.56
    n-pentane 741.06
    1-propoxy-2-propanol 2232.98
    1-methoxy-2-propyl acetate 2533.39
    2-(2-methoxypropoxy) propanol 1215.28
    mesitylene 763.86
    ε-caprolactone 5214.4
    p-cymene 573.56
    epichlorohydrin 5706.4
    1,1,1-trichloroethane 4798.21
    2-aminoethanol 545.43
    morpholine-4-carbaldehyde 3034.51
    sulfolane 4633.38
    2,2,4-trimethylpentane 284.22
    2-methyltetrahydrofuran 7058.46
    n-hexyl acetate 2777.31
    isooctane 221.76
    2-(2-butoxyethoxy)ethanol 1885.75
    sec-butyl acetate 2634.4
    tert-butyl acetate 3261.42
    decalin 531.95
    glycerin 366.49
    diglyme 3691.78
    acrylic acid 821.11
    isopropyl myristate 782.45
    n-butyric acid 3836.32
    acetyl acetate 2045.33
    di(2-ethylhexyl) phthalate 554.88
    ethyl propionate 3059.02
    nitromethane 3124.0
    1,2-diethoxyethane 4063.81
    benzonitrile 1850.17
    trioctyl phosphate 421.97
    1-bromopropane 4690.64
    gamma-valerolactone 6009.64
    n-decanol 456.77
    triethyl phosphate 747.85
    4-methyl-2-pentanol 1254.94
    propionitrile 2297.27
    vinylene carbonate 1830.13
    1,1,2-trichlorotrifluoroethane 2550.84
    DMS 1357.86
    cumene 646.08
    2-octanol 703.04
    2-hexanone 3592.45
    octyl acetate 939.81
    limonene 1214.6
    1,2-dimethoxyethane 4346.43
    ethyl orthosilicate 782.11
    tributyl phosphate 638.98
    diacetone alcohol 2436.49
    N,N-dimethylaniline 1093.41
    acrylonitrile 1968.51
    aniline 1762.35
    1,3-propanediol 1231.75
    bromobenzene 2754.19
    dibromomethane 5079.57
    1,1,2,2-tetrachloroethane 6844.54
    2-methyl-cyclohexyl acetate 1551.44
    tetrabutyl urea 843.66
    diisobutyl methanol 811.77
    2-phenylethanol 1137.44
    styrene 1482.85
    dioctyl adipate 1090.11
    dimethyl sulfate 897.23
    ethyl butyrate 2614.66
    methyl lactate 708.61
    butyl lactate 1405.5
    diethyl carbonate 1270.21
    propanediol butyl ether 1145.02
    triethyl orthoformate 1479.77
    p-tert-butyltoluene 535.93
    methyl 4-tert-butylbenzoate 1194.48
    morpholine 6298.26
    tert-butylamine 2387.4
    n-dodecanol 328.07
    dimethoxymethane 2773.24
    ethylene carbonate 1885.03
    cyrene 890.05
    2-ethoxyethyl acetate 2541.24
    2-ethylhexyl acetate 2671.37
    1,2,4-trichlorobenzene 2214.92
    4-methylpyridine 4588.97
    dibutyl ether 2602.52
    2,6-dimethyl-4-heptanol 811.77
    DEF 4560.06
    dimethyl isosorbide 2037.54
    tetrachloroethylene 4239.44
    eugenol 1009.28
    triacetin 1732.15
    span 80 1211.98
    1,4-butanediol 442.25
    1,1-dichloroethane 5548.79
    2-methyl-1-pentanol 2012.26
    methyl formate 914.18
    2-methyl-1-butanol 2704.48
    n-decane 166.82
    butyronitrile 3322.26
    3,7-dimethyl-1-octanol 979.39
    1-chlorooctane 875.52
    1-chlorotetradecane 241.42
    n-nonane 183.76
    undecane 100.68
    tert-butylcyclohexane 406.68
    cyclooctane 447.83
    cyclopentanol 2720.78
    tetrahydropyran 8669.04
    tert-amyl methyl ether 3300.1
    2,5,8-trioxanonane 2067.73
    1-hexene 3158.78
    2-isopropoxyethanol 1704.37
    2,2,2-trifluoroethanol 364.28
    methyl butyrate 4237.71

    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