Cyclohexyl pent-4-enoate

  • Identifiers

    Molecular formula
    C11H18O2

    SMILES
    C=CCCC(=O)OC1CCCCC1

  • Odor profile

    Fragrance
    Fruity 93.63%
    Pineapple 66.61%
    Green 61.2%
    Sweet 55.94%
    Tropical 42.63%
    Apple 39.66%
    Waxy 35.25%
    Banana 32.77%
    Peach 31.88%
    Winey 31.38%

     

    Flavor
    Fruity 57.59%
    Tropical 33.12%
    Pineapple 33.08%
    Floral 26.79%
    Oily 25.28%
    Fresh 24.48%
    Berry 24.4%
    Fatty 23.82%
    Fruit 23.05%
    Sweet 22.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.3 (neutral)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point

    • 102.04 ˚C est.

  • Synonyms

    • SCHEMBL1378849
  • Applications

    Cyclohexyl pent-4-enoate can be used as a reactive monomer and crosslinking component in UV-curable coatings, inks, and adhesive formulations; it may serve as a fragrance ingredient and fixative in perfumery and cosmetics; it acts as an intermediate for the synthesis of specialty esters and polymeric materials; it may be evaluated as a plasticizer or processing aid in polymer formulations; and it can appear as an aroma ingredient in household and cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 674.07
    methanol 711.71
    isopropanol 613.61
    water 0.19
    ethyl acetate 553.43
    n-propanol 539.4
    acetone 817.72
    n-butanol 561.42
    acetonitrile 491.06
    DMF 941.14
    toluene 330.6
    isobutanol 473.06
    1,4-dioxane 810.03
    methyl acetate 456.85
    THF 1190.27
    2-butanone 586.05
    n-pentanol 429.9
    sec-butanol 531.33
    n-hexane 132.07
    ethylene glycol 71.68
    NMP 710.84
    cyclohexane 190.64
    DMSO 922.73
    n-butyl acetate 642.45
    n-octanol 257.79
    chloroform 2148.74
    n-propyl acetate 386.77
    acetic acid 584.88
    dichloromethane 1615.2
    cyclohexanone 983.6
    propylene glycol 158.32
    isopropyl acetate 389.77
    DMAc 720.62
    2-ethoxyethanol 368.75
    isopentanol 537.91
    n-heptane 59.31
    ethyl formate 369.4
    1,2-dichloroethane 929.09
    n-hexanol 523.17
    2-methoxyethanol 544.76
    isobutyl acetate 282.35
    tetrachloromethane 194.92
    n-pentyl acetate 345.53
    transcutol 1613.69
    n-heptanol 205.21
    ethylbenzene 233.63
    MIBK 358.94
    2-propoxyethanol 573.64
    tert-butanol 647.39
    MTBE 506.17
    2-butoxyethanol 324.56
    propionic acid 440.73
    o-xylene 217.3
    formic acid 114.7
    diethyl ether 494.18
    m-xylene 229.76
    p-xylene 306.61
    chlorobenzene 613.89
    dimethyl carbonate 154.34
    n-octane 31.78
    formamide 152.47
    cyclopentanone 951.86
    2-pentanone 510.15
    anisole 381.8
    cyclopentyl methyl ether 506.36
    gamma-butyrolactone 929.84
    1-methoxy-2-propanol 479.11
    pyridine 933.64
    3-pentanone 350.04
    furfural 807.86
    n-dodecane 30.74
    diethylene glycol 339.49
    diisopropyl ether 170.03
    tert-amyl alcohol 506.94
    acetylacetone 539.67
    n-hexadecane 35.44
    acetophenone 378.97
    methyl propionate 354.06
    isopentyl acetate 537.15
    trichloroethylene 1734.63
    n-nonanol 223.58
    cyclohexanol 541.08
    benzyl alcohol 328.54
    2-ethylhexanol 309.34
    isooctanol 180.12
    dipropyl ether 301.41
    1,2-dichlorobenzene 528.29
    ethyl lactate 180.34
    propylene carbonate 590.12
    n-methylformamide 350.29
    2-pentanol 423.85
    n-pentane 85.16
    1-propoxy-2-propanol 471.17
    1-methoxy-2-propyl acetate 417.48
    2-(2-methoxypropoxy) propanol 382.34
    mesitylene 158.36
    ε-caprolactone 743.5
    p-cymene 145.43
    epichlorohydrin 994.1
    1,1,1-trichloroethane 857.17
    2-aminoethanol 190.55
    morpholine-4-carbaldehyde 657.47
    sulfolane 1000.23
    2,2,4-trimethylpentane 46.9
    2-methyltetrahydrofuran 812.74
    n-hexyl acetate 506.77
    isooctane 42.91
    2-(2-butoxyethoxy)ethanol 508.75
    sec-butyl acetate 287.04
    tert-butyl acetate 382.75
    decalin 92.76
    glycerin 180.73
    diglyme 830.78
    acrylic acid 353.68
    isopropyl myristate 205.93
    n-butyric acid 762.06
    acetyl acetate 380.65
    di(2-ethylhexyl) phthalate 192.57
    ethyl propionate 308.47
    nitromethane 709.87
    1,2-diethoxyethane 541.28
    benzonitrile 547.42
    trioctyl phosphate 138.07
    1-bromopropane 664.23
    gamma-valerolactone 925.9
    n-decanol 164.42
    triethyl phosphate 167.52
    4-methyl-2-pentanol 253.47
    propionitrile 503.94
    vinylene carbonate 557.29
    1,1,2-trichlorotrifluoroethane 631.78
    DMS 328.44
    cumene 167.63
    2-octanol 163.42
    2-hexanone 435.16
    octyl acetate 255.03
    limonene 220.75
    1,2-dimethoxyethane 723.15
    ethyl orthosilicate 162.91
    tributyl phosphate 178.67
    diacetone alcohol 401.97
    N,N-dimethylaniline 264.78
    acrylonitrile 549.13
    aniline 392.29
    1,3-propanediol 339.64
    bromobenzene 700.97
    dibromomethane 1130.07
    1,1,2,2-tetrachloroethane 1520.36
    2-methyl-cyclohexyl acetate 297.45
    tetrabutyl urea 222.15
    diisobutyl methanol 180.65
    2-phenylethanol 353.51
    styrene 332.78
    dioctyl adipate 284.07
    dimethyl sulfate 235.44
    ethyl butyrate 376.83
    methyl lactate 193.48
    butyl lactate 279.57
    diethyl carbonate 272.12
    propanediol butyl ether 342.01
    triethyl orthoformate 255.85
    p-tert-butyltoluene 134.4
    methyl 4-tert-butylbenzoate 319.56
    morpholine 867.19
    tert-butylamine 437.54
    n-dodecanol 123.74
    dimethoxymethane 419.73
    ethylene carbonate 464.24
    cyrene 272.65
    2-ethoxyethyl acetate 388.33
    2-ethylhexyl acetate 409.53
    1,2,4-trichlorobenzene 580.8
    4-methylpyridine 866.8
    dibutyl ether 364.74
    2,6-dimethyl-4-heptanol 180.65
    DEF 542.46
    dimethyl isosorbide 516.43
    tetrachloroethylene 894.78
    eugenol 315.92
    triacetin 400.24
    span 80 370.15
    1,4-butanediol 153.2
    1,1-dichloroethane 1050.51
    2-methyl-1-pentanol 397.83
    methyl formate 265.75
    2-methyl-1-butanol 461.24
    n-decane 50.18
    butyronitrile 625.42
    3,7-dimethyl-1-octanol 273.45
    1-chlorooctane 203.14
    1-chlorotetradecane 83.68
    n-nonane 49.06
    undecane 37.63
    tert-butylcyclohexane 79.41
    cyclooctane 54.85
    cyclopentanol 516.67
    tetrahydropyran 970.55
    tert-amyl methyl ether 341.85
    2,5,8-trioxanonane 592.48
    1-hexene 410.78
    2-isopropoxyethanol 304.66
    2,2,2-trifluoroethanol 142.2
    methyl butyrate 476.63

    Scent© AI

1 of 4
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