Butyl 10-undecenoate

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  • Identifiers

    CAS number
    109-42-2

    Molecular formula
    C15H28O2

    SMILES
    CCCCOC(=O)CCCCCCCCC=C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 80.98%
    Fatty 77.35%
    Waxy 69.35%
    Oily 59.17%
    Winey 57.14%
    Sweet 49.54%
    Cognac 48.36%
    Floral 48.36%
    Rose 45.88%
    Pineapple 41.53%

     

    Flavor
    Fruity 73.23%
    Waxy 70.55%
    Soapy 42.87%
    Oily 42.0%
    Sweet 40.77%
    Green 40.69%
    Creamy 37.4%
    Pear 37.1%
    Floral 37.08%
    Tropical 36.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    6.55 (neutral)

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 249.00 to 254.00 °C. @ 756.00 mm Hg

    Flash point

    • 126.05 ˚C est.

  • Synonyms

    • Butyl undec-10-enoate
    • 109-42-2
    • Butyl 10-undecenoate
    • Butyl undecylenate
    • 10-UNDECENOIC ACID, BUTYL ESTER
    • Butyl 10-undecylenate
    • FEMA No. 2216
    • n-Butyl 10-undecenoate
    • UNII-O3OKK2UWV6
    • O3OKK2UWV6
    • n-BUTYL UNDECYLENATE
    • NSC 2395
    • EINECS 203-670-4
    • BRN 1776569
    • DTXSID4047624
    • AI3-05920
    • NSC-2395
    • DTXCID2027624
    • BUTYL 10-UNDECENOATE [FHFI]
    • MFCD00048776
    • 10-Undecenoic acid,butyl ester
    • 10-UNDECENOIC ACID BUTYL ESTER
    • FEMA 2216
    • SCHEMBL858498
    • CHEMBL3561787
    • undec-10-enoic acid butyl ester
    • NSC2395
    • CHEBI:169713
    • Tox21_302561
    • LMFA07010797
    • Butyl 10-undecenoate, >=98%, FG
    • NCGC00256896-01
    • BS-49164
    • CAS-109-42-2
    • SY317430
    • DB-250217
    • CS-0158003
    • NS00012072
    • E78201
    • Q27285286

  • Applications

    Butyl 10-undecenoate (CAS 109-42-2) is typically employed as a fragrance ingredient and fixative in perfumery, due to its long aliphatic chain and relatively low volatility. It may be used as a solvent or processing aid in cosmetics and personal care formulations, providing solvency for fragrance components and active ingredients and contributing to texture and feel. In coatings, inks, and adhesives, the ester can serve as a plasticizer or processing aid, improving flexibility and handling of polymer systems. It may function as a reactive intermediate or component in polymer formulations, including specialty polyesters or unsaturated resins, where its C=C bond offers pathways for chemical modification. As an industrial solvent or component in formulated cleaners, it can help dissolve resins and waxes in certain applications. Use should be evaluated within local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4491.26
    methanol 4176.77
    isopropanol 4480.23
    water 0.04
    ethyl acetate 5228.37
    n-propanol 3943.8
    acetone 7346.5
    n-butanol 3706.16
    acetonitrile 2956.34
    DMF 4047.67
    toluene 1749.25
    isobutanol 3204.45
    1,4-dioxane 4300.62
    methyl acetate 3013.28
    THF 7395.7
    2-butanone 5259.01
    n-pentanol 2491.17
    sec-butanol 4052.63
    n-hexane 1326.76
    ethylene glycol 144.61
    NMP 3052.38
    cyclohexane 2251.45
    DMSO 5426.2
    n-butyl acetate 4071.72
    n-octanol 976.62
    chloroform 6454.28
    n-propyl acetate 3813.73
    acetic acid 2019.58
    dichloromethane 6854.96
    cyclohexanone 7528.24
    propylene glycol 428.02
    isopropyl acetate 3440.27
    DMAc 3068.99
    2-ethoxyethanol 2175.58
    isopentanol 3412.32
    n-heptane 496.17
    ethyl formate 1911.97
    1,2-dichloroethane 5660.76
    n-hexanol 2163.51
    2-methoxyethanol 3075.66
    isobutyl acetate 1983.08
    tetrachloromethane 1068.46
    n-pentyl acetate 2498.25
    transcutol 7305.74
    n-heptanol 875.94
    ethylbenzene 1067.38
    MIBK 2690.23
    2-propoxyethanol 2485.78
    tert-butanol 4483.91
    MTBE 5328.14
    2-butoxyethanol 1466.37
    propionic acid 1755.8
    o-xylene 1034.69
    formic acid 278.82
    diethyl ether 6416.99
    m-xylene 1104.04
    p-xylene 1337.81
    chlorobenzene 2318.74
    dimethyl carbonate 568.77
    n-octane 179.17
    formamide 546.64
    cyclopentanone 5387.38
    2-pentanone 5387.86
    anisole 1585.04
    cyclopentyl methyl ether 4336.71
    gamma-butyrolactone 4403.9
    1-methoxy-2-propanol 2642.48
    pyridine 4417.99
    3-pentanone 2988.43
    furfural 2841.35
    n-dodecane 91.39
    diethylene glycol 983.05
    diisopropyl ether 1629.01
    tert-amyl alcohol 3744.09
    acetylacetone 3535.47
    n-hexadecane 112.54
    acetophenone 1539.11
    methyl propionate 2639.71
    isopentyl acetate 3206.43
    trichloroethylene 7519.79
    n-nonanol 823.18
    cyclohexanol 3899.92
    benzyl alcohol 1182.15
    2-ethylhexanol 1517.72
    isooctanol 791.57
    dipropyl ether 2552.03
    1,2-dichlorobenzene 1919.9
    ethyl lactate 781.38
    propylene carbonate 2387.2
    n-methylformamide 1666.72
    2-pentanol 3182.05
    n-pentane 863.74
    1-propoxy-2-propanol 2269.18
    1-methoxy-2-propyl acetate 2298.32
    2-(2-methoxypropoxy) propanol 1187.08
    mesitylene 711.36
    ε-caprolactone 4944.07
    p-cymene 566.82
    epichlorohydrin 5433.67
    1,1,1-trichloroethane 4813.45
    2-aminoethanol 675.32
    morpholine-4-carbaldehyde 2753.42
    sulfolane 4318.92
    2,2,4-trimethylpentane 286.55
    2-methyltetrahydrofuran 6963.99
    n-hexyl acetate 2797.54
    isooctane 236.3
    2-(2-butoxyethoxy)ethanol 1833.52
    sec-butyl acetate 2483.68
    tert-butyl acetate 2969.91
    decalin 538.29
    glycerin 424.16
    diglyme 3475.94
    acrylic acid 929.79
    isopropyl myristate 796.92
    n-butyric acid 4216.27
    acetyl acetate 2044.99
    di(2-ethylhexyl) phthalate 558.88
    ethyl propionate 2813.06
    nitromethane 3503.76
    1,2-diethoxyethane 3724.46
    benzonitrile 1868.34
    trioctyl phosphate 435.89
    1-bromopropane 4817.71
    gamma-valerolactone 5566.22
    n-decanol 529.28
    triethyl phosphate 715.68
    4-methyl-2-pentanol 1375.75
    propionitrile 2632.31
    vinylene carbonate 1811.94
    1,1,2-trichlorotrifluoroethane 2406.31
    DMS 1270.58
    cumene 622.39
    2-octanol 789.72
    2-hexanone 3596.01
    octyl acetate 955.59
    limonene 1181.58
    1,2-dimethoxyethane 4377.99
    ethyl orthosilicate 738.99
    tributyl phosphate 642.55
    diacetone alcohol 2275.77
    N,N-dimethylaniline 1002.9
    acrylonitrile 2195.49
    aniline 1735.72
    1,3-propanediol 1431.77
    bromobenzene 2645.57
    dibromomethane 5446.44
    1,1,2,2-tetrachloroethane 6325.07
    2-methyl-cyclohexyl acetate 1460.15
    tetrabutyl urea 811.79
    diisobutyl methanol 848.28
    2-phenylethanol 1130.05
    styrene 1469.43
    dioctyl adipate 1088.62
    dimethyl sulfate 804.94
    ethyl butyrate 2529.38
    methyl lactate 716.17
    butyl lactate 1356.17
    diethyl carbonate 1243.63
    propanediol butyl ether 1196.53
    triethyl orthoformate 1377.27
    p-tert-butyltoluene 521.0
    methyl 4-tert-butylbenzoate 1099.42
    morpholine 6497.89
    tert-butylamine 2920.4
    n-dodecanol 384.65
    dimethoxymethane 2708.0
    ethylene carbonate 1894.88
    cyrene 869.73
    2-ethoxyethyl acetate 2295.18
    2-ethylhexyl acetate 2476.08
    1,2,4-trichlorobenzene 2012.13
    4-methylpyridine 4370.67
    dibutyl ether 2659.65
    2,6-dimethyl-4-heptanol 848.28
    DEF 4214.2
    dimethyl isosorbide 1900.85
    tetrachloroethylene 4027.8
    eugenol 952.07
    triacetin 1637.06
    span 80 1249.53
    1,4-butanediol 528.19
    1,1-dichloroethane 5683.03
    2-methyl-1-pentanol 2188.12
    methyl formate 954.84
    2-methyl-1-butanol 2994.51
    n-decane 207.73
    butyronitrile 3840.45
    3,7-dimethyl-1-octanol 1055.51
    1-chlorooctane 974.44
    1-chlorotetradecane 275.5
    n-nonane 229.97
    undecane 127.05
    tert-butylcyclohexane 418.13
    cyclooctane 475.35
    cyclopentanol 3033.35
    tetrahydropyran 8964.52
    tert-amyl methyl ether 3112.03
    2,5,8-trioxanonane 1998.17
    1-hexene 3621.67
    2-isopropoxyethanol 1704.27
    2,2,2-trifluoroethanol 392.81
    methyl butyrate 4029.14

    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