2-Hexenyl pentanoate, (2E)-

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  • Identifiers

    CAS number
    56922-74-8

    Molecular formula
    C11H20O2

    SMILES
    CCCCC(=O)OC/C=C/CCC

  • Odor profile

    Fragrance
    Fruity 93.82%
    Green 83.15%
    Apple 68.69%
    Tropical 61.05%
    Pineapple 57.57%
    Pear 56.55%
    Waxy 56.39%
    Banana 43.44%
    Winey 42.82%
    Fatty 41.78%

     

    Flavor
    Green 79.8%
    Fruity 72.46%
    Apple 58.64%
    Pear 48.85%
    Waxy 45.51%
    Tropical 43.01%
    Fresh 37.48%
    Pineapple 36.34%
    Grassy 33.32%
    Fatty 32.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.14 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 70.00 °C. @ 1.00 mm Hg

    Flash point

    • 99.24 ˚C est.

    Solubility expt.

    • Soluble in fats; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Hexenyl valerate
    • 56922-74-8
    • 2-Hexenyl valerate
    • Pentanoic acid, (2E)-2-hexenyl ester
    • (E)-2-Hexenyl valerate
    • [(E)-hex-2-enyl] pentanoate
    • trans-2-Hexenyl pentanoate
    • (E)-Hex-2-enyl valerate
    • Pentanoic acid, 2-hexenyl ester, (E)-
    • Pentanoic acid, (2E)-2-hexen-1-yl ester
    • 2-Hexenyl pentanoate, (2E)-
    • NQO2JJ740G
    • (2E)-2-Hexenyl pentanoate
    • EINECS 260-439-0
    • (E)-2-Hexenyl pentanoate
    • FEMA NO. 3935
    • (E)-Hex-2-en-1-yl pentanoate
    • DTXSID40886209
    • (2E)-hex-2-en-1-yl pentanoate
    • Propyl S-2-(dimethylamino)ethyl propylphosphonofluoridate
    • (E)-2-HEXENYL VALERATE [FHFI]
    • S-[2-(Dimethylamino)ethyl] o-propyl propylphosphonothioate
    • (Z)-2-Hexenyl pentanoate
    • UNII-NQO2JJ740G
    • e-2-hexenyl valerate
    • SCHEMBL1532671
    • FEMA 3935
    • DTXCID70910021
    • CHEBI:172054
    • 2-Hexenyl ester(E)-Pentanoic acid
    • Valeric Acid trans-2-Hexenyl Ester
    • LMFA07010719
    • MFCD00036547
    • AKOS006274034
    • DB-257135
    • H1444
    • NS00012595
    • D91032
    • Q27284998

  • Applications

    2-Hexenyl pentanoate, (2E)- (CAS 56922-74-8) is primarily used as a fragrance ingredient in perfumery and aroma formulations and may function as a fixative or odorant component in cosmetics and personal care products; it is also considered for flavor/aroma applications in the food sector under applicable regulatory allowances. In household products such as cleaners and air fresheners, it provides fragrance profiles and scent release; in coatings and inks, it can be employed as a fragrance additive. Additionally, this ester can serve as an intermediate in the synthesis of fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3480.8
    methanol 3757.09
    isopropanol 2465.25
    water 0.17
    ethyl acetate 2554.58
    n-propanol 2380.42
    acetone 3968.61
    n-butanol 2289.37
    acetonitrile 2309.31
    DMF 3717.12
    toluene 1117.03
    isobutanol 1913.77
    1,4-dioxane 2672.65
    methyl acetate 1733.52
    THF 3625.55
    2-butanone 2512.63
    n-pentanol 1615.11
    sec-butanol 2213.08
    n-hexane 644.01
    ethylene glycol 289.26
    NMP 2337.1
    cyclohexane 800.27
    DMSO 3836.14
    n-butyl acetate 2191.83
    n-octanol 649.59
    chloroform 4575.54
    n-propyl acetate 1489.62
    acetic acid 2069.2
    dichloromethane 4479.06
    cyclohexanone 3449.23
    propylene glycol 552.61
    isopropyl acetate 1483.93
    DMAc 2151.23
    2-ethoxyethanol 1331.74
    isopentanol 1986.86
    n-heptane 221.09
    ethyl formate 1199.72
    1,2-dichloroethane 3463.25
    n-hexanol 1734.08
    2-methoxyethanol 2264.56
    isobutyl acetate 876.46
    tetrachloromethane 684.53
    n-pentyl acetate 1033.7
    transcutol 4721.4
    n-heptanol 567.73
    ethylbenzene 641.96
    MIBK 1194.18
    2-propoxyethanol 1873.39
    tert-butanol 2817.17
    MTBE 2505.75
    2-butoxyethanol 911.21
    propionic acid 1381.06
    o-xylene 629.09
    formic acid 407.99
    diethyl ether 2773.23
    m-xylene 699.51
    p-xylene 780.31
    chlorobenzene 1534.69
    dimethyl carbonate 457.79
    n-octane 89.98
    formamide 602.97
    cyclopentanone 2908.8
    2-pentanone 2351.3
    anisole 1041.06
    cyclopentyl methyl ether 1974.44
    gamma-butyrolactone 2664.27
    1-methoxy-2-propanol 1797.38
    pyridine 2740.26
    3-pentanone 1448.68
    furfural 1967.88
    n-dodecane 64.29
    diethylene glycol 1040.48
    diisopropyl ether 710.33
    tert-amyl alcohol 2296.23
    acetylacetone 1964.16
    n-hexadecane 75.73
    acetophenone 947.89
    methyl propionate 1481.7
    isopentyl acetate 1726.26
    trichloroethylene 5181.63
    n-nonanol 539.69
    cyclohexanol 2111.88
    benzyl alcohol 877.94
    2-ethylhexanol 1012.01
    isooctanol 499.99
    dipropyl ether 1083.4
    1,2-dichlorobenzene 1249.49
    ethyl lactate 489.14
    propylene carbonate 1465.53
    n-methylformamide 1391.19
    2-pentanol 1770.76
    n-pentane 419.16
    1-propoxy-2-propanol 1476.09
    1-methoxy-2-propyl acetate 1284.02
    2-(2-methoxypropoxy) propanol 889.95
    mesitylene 448.76
    ε-caprolactone 2435.7
    p-cymene 362.05
    epichlorohydrin 3281.53
    1,1,1-trichloroethane 2857.14
    2-aminoethanol 816.1
    morpholine-4-carbaldehyde 1946.08
    sulfolane 2874.89
    2,2,4-trimethylpentane 168.65
    2-methyltetrahydrofuran 3107.7
    n-hexyl acetate 1396.98
    isooctane 142.91
    2-(2-butoxyethoxy)ethanol 1288.76
    sec-butyl acetate 1012.66
    tert-butyl acetate 1386.51
    decalin 293.83
    glycerin 579.05
    diglyme 2208.37
    acrylic acid 1027.78
    isopropyl myristate 479.11
    n-butyric acid 2521.62
    acetyl acetate 1220.79
    di(2-ethylhexyl) phthalate 410.02
    ethyl propionate 1197.73
    nitromethane 2743.1
    1,2-diethoxyethane 1888.18
    benzonitrile 1318.05
    trioctyl phosphate 300.55
    1-bromopropane 2525.26
    gamma-valerolactone 2885.72
    n-decanol 379.34
    triethyl phosphate 418.78
    4-methyl-2-pentanol 813.72
    propionitrile 1798.22
    vinylene carbonate 1271.3
    1,1,2-trichlorotrifluoroethane 1959.71
    DMS 834.77
    cumene 403.48
    2-octanol 468.7
    2-hexanone 1623.43
    octyl acetate 592.64
    limonene 657.96
    1,2-dimethoxyethane 2419.83
    ethyl orthosilicate 426.71
    tributyl phosphate 413.95
    diacetone alcohol 1303.57
    N,N-dimethylaniline 703.19
    acrylonitrile 1866.85
    aniline 1217.13
    1,3-propanediol 1268.85
    bromobenzene 1719.45
    dibromomethane 3410.95
    1,1,2,2-tetrachloroethane 4298.13
    2-methyl-cyclohexyl acetate 788.21
    tetrabutyl urea 528.65
    diisobutyl methanol 505.55
    2-phenylethanol 900.52
    styrene 931.73
    dioctyl adipate 646.65
    dimethyl sulfate 670.39
    ethyl butyrate 1162.53
    methyl lactate 599.78
    butyl lactate 727.7
    diethyl carbonate 687.6
    propanediol butyl ether 911.33
    triethyl orthoformate 679.38
    p-tert-butyltoluene 340.36
    methyl 4-tert-butylbenzoate 715.84
    morpholine 3838.01
    tert-butylamine 1934.27
    n-dodecanol 280.22
    dimethoxymethane 1651.41
    ethylene carbonate 1123.03
    cyrene 636.06
    2-ethoxyethyl acetate 1184.26
    2-ethylhexyl acetate 1274.97
    1,2,4-trichlorobenzene 1352.77
    4-methylpyridine 2729.88
    dibutyl ether 1106.2
    2,6-dimethyl-4-heptanol 505.55
    DEF 2280.71
    dimethyl isosorbide 1274.94
    tetrachloroethylene 2569.8
    eugenol 747.49
    triacetin 960.88
    span 80 912.68
    1,4-butanediol 541.14
    1,1-dichloroethane 3388.36
    2-methyl-1-pentanol 1424.35
    methyl formate 870.65
    2-methyl-1-butanol 1831.8
    n-decane 118.86
    butyronitrile 2445.57
    3,7-dimethyl-1-octanol 679.05
    1-chlorooctane 535.25
    1-chlorotetradecane 179.9
    n-nonane 125.95
    undecane 83.85
    tert-butylcyclohexane 247.96
    cyclooctane 191.91
    cyclopentanol 1753.63
    tetrahydropyran 3975.97
    tert-amyl methyl ether 1562.79
    2,5,8-trioxanonane 1440.45
    1-hexene 1842.96
    2-isopropoxyethanol 1068.65
    2,2,2-trifluoroethanol 406.75
    methyl butyrate 1807.65

    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