pent-2-Enyl hexanoate, (2Z)-

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  • Identifiers

    CAS number
    74298-89-8

    Molecular formula
    C11H20O2

    SMILES
    CCCCCC(=O)OC/C=C\CC

  • Odor profile

    Fragrance
    Fruity 95.62%
    Green 87.87%
    Apple 70.46%
    Tropical 67.17%
    Pineapple 62.27%
    Waxy 59.1%
    Pear 55.52%
    Banana 49.68%
    Winey 43.25%
    Fresh 42.3%

     

    Flavor
    Fruity 77.75%
    Green 75.4%
    Apple 57.56%
    Pear 45.91%
    Tropical 44.46%
    Pineapple 43.46%
    Waxy 39.94%
    Fresh 34.15%
    Sweet 33.04%
    Fruit 32.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.01 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

    Flash point

    • 99.27 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water; soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • Pent-2-enyl hexanoate
    • 2-Pentenyl hexanoate
    • (Z)-Pent-2-enyl hexanoate
    • 74298-89-8
    • [(Z)-pent-2-enyl] hexanoate
    • pent-2-Enyl hexanoate, (2Z)-
    • Hexanoic acid, 2-pentenyl ester, (Z)-
    • YQW0S1365R
    • EINECS 277-808-7
    • UNII-YQW0S1365R
    • Hexanoic acid, (2Z)-2-pentenyl ester
    • (2Z)-PENT-2-EN-1-YL HEXANOATE
    • (2Z)-2-Penten-1-yl hexanoate
    • DTXSID501308660
    • 2-PENTENYL HEXANOATE, CIS-
    • PENT-2-ENYL HEXANOATE [FHFI]
    • HEXANOIC ACID, (2Z)-2-PENTEN-1-YL ESTER
    • z-2-pentenyl hexanoate
    • (2Z)-pent-2-enyl hexanoate
    • (2Z)-2-Pentenyl hexanoate #
    • (Z)-Pent-2-en-1-yl hexanoate
    • CHEBI:172048
    • DTXCID701738560
    • 2-Pentenyl ester(Z)-Hexanoic acid
    • LMFA07010987
    • NS00059554
    • Q27294667
    • 277-808-7

  • Applications

    pent-2-Enyl hexanoate, (2Z)- (CAS 74298-89-8) is used primarily as a fragrance ingredient in the perfumery industry and may function as a fragrance fixative in cosmetic and personal care formulations; it can also serve as a solvent or additive in coatings and inks; it serves as a synthetic intermediate in the production of fragrance and flavor compounds; it may act as a plasticizer or processing aid in polymer formulations; and it is sometimes considered for use in cleaning products as a solvent or odorant component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5258.7
    methanol 6505.44
    isopropanol 3213.86
    water 0.27
    ethyl acetate 4411.04
    n-propanol 3375.64
    acetone 6508.18
    n-butanol 3314.91
    acetonitrile 3779.38
    DMF 5399.46
    toluene 1897.98
    isobutanol 2538.63
    1,4-dioxane 4318.64
    methyl acetate 2601.17
    THF 5992.11
    2-butanone 3859.2
    n-pentanol 2101.91
    sec-butanol 2778.43
    n-hexane 743.37
    ethylene glycol 428.36
    NMP 3706.9
    cyclohexane 1174.3
    DMSO 6152.96
    n-butyl acetate 3166.85
    n-octanol 679.93
    chloroform 6607.35
    n-propyl acetate 2237.9
    acetic acid 3301.64
    dichloromethane 7036.0
    cyclohexanone 5375.48
    propylene glycol 679.4
    isopropyl acetate 2427.04
    DMAc 3199.17
    2-ethoxyethanol 1983.66
    isopentanol 2661.02
    n-heptane 246.21
    ethyl formate 1835.91
    1,2-dichloroethane 5648.8
    n-hexanol 2074.25
    2-methoxyethanol 3698.89
    isobutyl acetate 1201.39
    tetrachloromethane 985.45
    n-pentyl acetate 1397.48
    transcutol 6771.16
    n-heptanol 644.17
    ethylbenzene 872.78
    MIBK 1732.69
    2-propoxyethanol 2524.26
    tert-butanol 3525.74
    MTBE 3601.9
    2-butoxyethanol 1136.46
    propionic acid 1996.88
    o-xylene 861.87
    formic acid 743.18
    diethyl ether 4577.8
    m-xylene 1030.01
    p-xylene 1034.8
    chlorobenzene 2346.49
    dimethyl carbonate 716.01
    n-octane 85.79
    formamide 1192.65
    cyclopentanone 4498.84
    2-pentanone 3845.66
    anisole 1533.28
    cyclopentyl methyl ether 3319.34
    gamma-butyrolactone 4213.32
    1-methoxy-2-propanol 2609.33
    pyridine 4688.48
    3-pentanone 2332.47
    furfural 2908.67
    n-dodecane 58.47
    diethylene glycol 1463.55
    diisopropyl ether 1020.32
    tert-amyl alcohol 2853.19
    acetylacetone 3212.29
    n-hexadecane 70.0
    acetophenone 1329.44
    methyl propionate 2399.66
    isopentyl acetate 2425.3
    trichloroethylene 8252.36
    n-nonanol 580.88
    cyclohexanol 3057.04
    benzyl alcohol 1207.98
    2-ethylhexanol 1236.47
    isooctanol 564.29
    dipropyl ether 1442.37
    1,2-dichlorobenzene 1783.75
    ethyl lactate 628.32
    propylene carbonate 2131.93
    n-methylformamide 2308.48
    2-pentanol 2229.85
    n-pentane 562.61
    1-propoxy-2-propanol 1870.78
    1-methoxy-2-propyl acetate 1875.13
    2-(2-methoxypropoxy) propanol 1083.79
    mesitylene 591.43
    ε-caprolactone 3833.47
    p-cymene 433.64
    epichlorohydrin 5279.71
    1,1,1-trichloroethane 4187.78
    2-aminoethanol 1186.2
    morpholine-4-carbaldehyde 3146.82
    sulfolane 4223.65
    2,2,4-trimethylpentane 209.42
    2-methyltetrahydrofuran 5173.98
    n-hexyl acetate 1772.28
    isooctane 161.75
    2-(2-butoxyethoxy)ethanol 1670.66
    sec-butyl acetate 1491.09
    tert-butyl acetate 2044.53
    decalin 376.19
    glycerin 766.22
    diglyme 2954.36
    acrylic acid 1486.09
    isopropyl myristate 550.79
    n-butyric acid 3801.72
    acetyl acetate 2007.24
    di(2-ethylhexyl) phthalate 479.29
    ethyl propionate 1818.3
    nitromethane 4805.44
    1,2-diethoxyethane 2834.98
    benzonitrile 1837.36
    trioctyl phosphate 339.45
    1-bromopropane 3822.19
    gamma-valerolactone 4632.49
    n-decanol 390.81
    triethyl phosphate 548.63
    4-methyl-2-pentanol 1010.97
    propionitrile 2686.22
    vinylene carbonate 1854.11
    1,1,2-trichlorotrifluoroethane 2861.52
    DMS 1177.68
    cumene 492.91
    2-octanol 503.54
    2-hexanone 2286.12
    octyl acetate 682.16
    limonene 837.07
    1,2-dimethoxyethane 3527.68
    ethyl orthosilicate 561.15
    tributyl phosphate 516.29
    diacetone alcohol 1785.61
    N,N-dimethylaniline 943.02
    acrylonitrile 2806.16
    aniline 1984.19
    1,3-propanediol 1852.35
    bromobenzene 2640.85
    dibromomethane 5103.61
    1,1,2,2-tetrachloroethane 6403.87
    2-methyl-cyclohexyl acetate 1053.9
    tetrabutyl urea 628.42
    diisobutyl methanol 578.27
    2-phenylethanol 1223.41
    styrene 1332.28
    dioctyl adipate 788.37
    dimethyl sulfate 998.41
    ethyl butyrate 1663.42
    methyl lactate 823.6
    butyl lactate 885.3
    diethyl carbonate 924.87
    propanediol butyl ether 1077.53
    triethyl orthoformate 899.12
    p-tert-butyltoluene 407.65
    methyl 4-tert-butylbenzoate 871.47
    morpholine 6330.63
    tert-butylamine 2516.73
    n-dodecanol 280.76
    dimethoxymethane 2704.21
    ethylene carbonate 1643.63
    cyrene 795.03
    2-ethoxyethyl acetate 1670.2
    2-ethylhexyl acetate 1757.62
    1,2,4-trichlorobenzene 1909.06
    4-methylpyridine 4475.46
    dibutyl ether 1405.2
    2,6-dimethyl-4-heptanol 578.27
    DEF 3761.9
    dimethyl isosorbide 1674.01
    tetrachloroethylene 4015.2
    eugenol 877.15
    triacetin 1258.0
    span 80 1067.31
    1,4-butanediol 700.41
    1,1-dichloroethane 4974.59
    2-methyl-1-pentanol 1886.8
    methyl formate 1399.81
    2-methyl-1-butanol 2560.05
    n-decane 109.99
    butyronitrile 3557.54
    3,7-dimethyl-1-octanol 748.69
    1-chlorooctane 586.91
    1-chlorotetradecane 189.19
    n-nonane 116.35
    undecane 76.21
    tert-butylcyclohexane 302.66
    cyclooctane 250.02
    cyclopentanol 2461.73
    tetrahydropyran 6616.78
    tert-amyl methyl ether 2215.54
    2,5,8-trioxanonane 1815.69
    1-hexene 2341.35
    2-isopropoxyethanol 1450.43
    2,2,2-trifluoroethanol 635.4
    methyl butyrate 2701.77

    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