Hexyl hex-5-enoate

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  • Identifiers

    CAS number
    106917-23-1

    Molecular formula
    C12H22O2

    SMILES
    CCCCCCOC(=O)CCCC=C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 88.37%
    Green 76.0%
    Waxy 58.05%
    Pineapple 53.18%
    Fatty 52.13%
    Tropical 48.98%
    Sweet 44.83%
    Winey 43.55%
    Pear 42.28%
    Apple 41.96%

     

    Flavor
    Fruity 79.08%
    Green 58.36%
    Waxy 50.55%
    Tropical 46.2%
    Pineapple 43.48%
    Pear 42.09%
    Apple 40.71%
    Fresh 35.24%
    Cognac 31.89%
    Sweet 31.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.27 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    240°C

    Flash point

    • 101.1 ˚C est.

  • Synonyms

    • HEXYL HEX-5-ENOATE
    • 106917-23-1
    • hexyl 5-hexenoate
    • DTXSID50762646
    • JZTSLYZRPJJXJS-UHFFFAOYSA-N
    • 106917-23-1

  • Applications

    Hexyl hex-5-enoate (CAS 106917-23-1) is an unsaturated ester that is used as a fragrance ingredient and odorant in perfumery, contributing a durable aroma. It is also considered for cosmetic and personal care applications as a fragrance component and, in some formulations, as a lightweight solvent. Additionally, it can serve as an intermediate in the synthesis of other organic compounds and may function as a solvent or additive in coatings, inks, and plastics. In household and cleaning applications, it may appear as a fragrance ingredient or solvent in products for deodorizing and surface cleaning. Real-world use depends on formulation, product type, and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5010.59
    methanol 5679.85
    isopropanol 3549.31
    water 0.13
    ethyl acetate 4978.72
    n-propanol 3344.07
    acetone 7169.26
    n-butanol 3174.99
    acetonitrile 3358.39
    DMF 4619.91
    toluene 1393.16
    isobutanol 2618.71
    1,4-dioxane 3797.83
    methyl acetate 2886.17
    THF 6177.59
    2-butanone 4426.54
    n-pentanol 2186.73
    sec-butanol 3042.54
    n-hexane 797.34
    ethylene glycol 289.27
    NMP 3319.2
    cyclohexane 1054.58
    DMSO 5869.24
    n-butyl acetate 3696.29
    n-octanol 781.28
    chloroform 5125.83
    n-propyl acetate 2680.67
    acetic acid 2900.51
    dichloromethane 5999.38
    cyclohexanone 5674.64
    propylene glycol 540.0
    isopropyl acetate 2885.67
    DMAc 3054.54
    2-ethoxyethanol 1940.73
    isopentanol 2853.77
    n-heptane 296.12
    ethyl formate 1837.05
    1,2-dichloroethane 4721.7
    n-hexanol 2136.63
    2-methoxyethanol 3305.42
    isobutyl acetate 1519.51
    tetrachloromethane 714.31
    n-pentyl acetate 1732.88
    transcutol 7519.01
    n-heptanol 704.72
    ethylbenzene 814.25
    MIBK 2115.43
    2-propoxyethanol 2608.2
    tert-butanol 3678.57
    MTBE 3985.0
    2-butoxyethanol 1216.55
    propionic acid 1961.75
    o-xylene 817.66
    formic acid 518.26
    diethyl ether 5009.79
    m-xylene 929.56
    p-xylene 990.03
    chlorobenzene 1933.65
    dimethyl carbonate 634.83
    n-octane 112.03
    formamide 852.12
    cyclopentanone 4664.07
    2-pentanone 4446.98
    anisole 1350.76
    cyclopentyl methyl ether 3412.74
    gamma-butyrolactone 4195.41
    1-methoxy-2-propanol 2575.93
    pyridine 3564.43
    3-pentanone 2627.07
    furfural 2642.66
    n-dodecane 72.8
    diethylene glycol 1265.76
    diisopropyl ether 1237.58
    tert-amyl alcohol 3024.48
    acetylacetone 3447.44
    n-hexadecane 87.39
    acetophenone 1279.12
    methyl propionate 2531.65
    isopentyl acetate 2857.73
    trichloroethylene 6736.2
    n-nonanol 655.36
    cyclohexanol 2889.99
    benzyl alcohol 1034.86
    2-ethylhexanol 1326.15
    isooctanol 610.58
    dipropyl ether 1821.66
    1,2-dichlorobenzene 1556.38
    ethyl lactate 649.46
    propylene carbonate 2161.61
    n-methylformamide 1904.34
    2-pentanol 2505.27
    n-pentane 537.47
    1-propoxy-2-propanol 2098.7
    1-methoxy-2-propyl acetate 2167.78
    2-(2-methoxypropoxy) propanol 1147.32
    mesitylene 579.05
    ε-caprolactone 4032.71
    p-cymene 452.1
    epichlorohydrin 4861.77
    1,1,1-trichloroethane 3611.12
    2-aminoethanol 914.97
    morpholine-4-carbaldehyde 2771.88
    sulfolane 4099.73
    2,2,4-trimethylpentane 214.18
    2-methyltetrahydrofuran 5266.27
    n-hexyl acetate 2197.85
    isooctane 177.72
    2-(2-butoxyethoxy)ethanol 1732.66
    sec-butyl acetate 1768.64
    tert-butyl acetate 2449.37
    decalin 355.65
    glycerin 583.36
    diglyme 3040.73
    acrylic acid 1256.62
    isopropyl myristate 658.5
    n-butyric acid 3926.23
    acetyl acetate 2047.14
    di(2-ethylhexyl) phthalate 513.15
    ethyl propionate 2084.0
    nitromethane 4467.98
    1,2-diethoxyethane 3290.88
    benzonitrile 1607.25
    trioctyl phosphate 382.49
    1-bromopropane 3503.48
    gamma-valerolactone 4672.48
    n-decanol 446.89
    triethyl phosphate 588.55
    4-methyl-2-pentanol 1114.39
    propionitrile 2452.69
    vinylene carbonate 1715.23
    1,1,2-trichlorotrifluoroethane 2333.59
    DMS 1249.09
    cumene 475.17
    2-octanol 578.71
    2-hexanone 2663.95
    octyl acetate 805.61
    limonene 906.44
    1,2-dimethoxyethane 3606.17
    ethyl orthosilicate 607.43
    tributyl phosphate 582.91
    diacetone alcohol 2023.83
    N,N-dimethylaniline 841.27
    acrylonitrile 2411.25
    aniline 1443.19
    1,3-propanediol 1577.47
    bromobenzene 2196.58
    dibromomethane 4271.51
    1,1,2,2-tetrachloroethane 5094.69
    2-methyl-cyclohexyl acetate 1197.23
    tetrabutyl urea 722.41
    diisobutyl methanol 670.82
    2-phenylethanol 1107.82
    styrene 1128.82
    dioctyl adipate 908.26
    dimethyl sulfate 904.12
    ethyl butyrate 1958.94
    methyl lactate 778.42
    butyl lactate 1045.49
    diethyl carbonate 1023.29
    propanediol butyl ether 1080.87
    triethyl orthoformate 1049.9
    p-tert-butyltoluene 430.27
    methyl 4-tert-butylbenzoate 920.41
    morpholine 5168.23
    tert-butylamine 2326.96
    n-dodecanol 335.66
    dimethoxymethane 2728.13
    ethylene carbonate 1645.08
    cyrene 809.82
    2-ethoxyethyl acetate 1910.22
    2-ethylhexyl acetate 2091.15
    1,2,4-trichlorobenzene 1651.99
    4-methylpyridine 3741.52
    dibutyl ether 1824.53
    2,6-dimethyl-4-heptanol 670.82
    DEF 3792.34
    dimethyl isosorbide 1781.87
    tetrachloroethylene 3214.98
    eugenol 867.71
    triacetin 1380.42
    span 80 1120.4
    1,4-butanediol 591.16
    1,1-dichloroethane 4572.27
    2-methyl-1-pentanol 1908.94
    methyl formate 1212.44
    2-methyl-1-butanol 2514.08
    n-decane 142.64
    butyronitrile 3433.89
    3,7-dimethyl-1-octanol 881.65
    1-chlorooctane 689.65
    1-chlorotetradecane 221.36
    n-nonane 150.59
    undecane 95.83
    tert-butylcyclohexane 306.5
    cyclooctane 239.69
    cyclopentanol 2321.79
    tetrahydropyran 6330.48
    tert-amyl methyl ether 2500.45
    2,5,8-trioxanonane 1878.38
    1-hexene 2567.2
    2-isopropoxyethanol 1519.92
    2,2,2-trifluoroethanol 524.02
    methyl butyrate 3020.01

    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