pentyl (Z)-but-2-enoate

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  • Identifiers

    CAS number
    25415-76-3

    Molecular formula
    C9H16O2

    SMILES
    CCCCCOC(=O)/C=C\C

  • Odor profile

    Fragrance
    Fruity 93.95%
    Apple 66.71%
    Green 57.15%
    Sweet 52.83%
    Pineapple 51.74%
    Herbal 46.61%
    Chamomile 45.96%
    Caramellic 45.05%
    Winey 44.73%
    Fresh 43.3%

     

    Flavor
    Fruity 40.46%
    Green 37.55%
    Ethereal 24.53%
    Pungent 24.38%
    Tropical 23.69%
    Fatty 23.41%
    Cheese 22.61%
    Vegetable 21.18%
    Sweet 19.92%
    Arrack 19.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.19 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 67.51 ˚C est.

  • Synonyms

    • 25415-76-3
    • NSC53944
    • NSC-53944

  • Applications

    pentyl (Z)-but-2-enoate (CAS 25415-76-3) is used primarily as a fragrance ingredient and odorant in perfumery, where it can also function as a fixative to help extend fragrance longevity. It may be employed as a flavor/aroma component in food-processing formulations. In cosmetics and personal care, it serves as a fragrance ingredient to impart scent in products such as creams, lotions, and soaps. In household products, it contributes fragrance to cleaners and detergents. It is also used as an intermediate in industrial fragrance synthesis and related chemical manufacturing, providing a building block for more complex aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4888.7
    methanol 6002.1
    isopropanol 3554.94
    water 0.49
    ethyl acetate 3172.61
    n-propanol 3633.66
    acetone 5655.19
    n-butanol 3470.38
    acetonitrile 3647.45
    DMF 5739.32
    toluene 1291.8
    isobutanol 2855.01
    1,4-dioxane 3696.36
    methyl acetate 2492.48
    THF 4840.56
    2-butanone 3677.77
    n-pentanol 2250.6
    sec-butanol 3226.75
    n-hexane 975.96
    ethylene glycol 510.64
    NMP 3995.17
    cyclohexane 1168.26
    DMSO 5243.31
    n-butyl acetate 2805.04
    n-octanol 912.42
    chloroform 6337.45
    n-propyl acetate 1936.01
    acetic acid 4009.93
    dichloromethane 5650.66
    cyclohexanone 4922.94
    propylene glycol 852.32
    isopropyl acetate 1627.59
    DMAc 2721.43
    2-ethoxyethanol 1714.3
    isopentanol 2842.87
    n-heptane 293.29
    ethyl formate 1731.46
    1,2-dichloroethane 4405.54
    n-hexanol 2428.77
    2-methoxyethanol 3222.08
    isobutyl acetate 1001.93
    tetrachloromethane 935.54
    n-pentyl acetate 1278.5
    transcutol 5776.37
    n-heptanol 770.37
    ethylbenzene 769.68
    MIBK 1457.67
    2-propoxyethanol 2409.1
    tert-butanol 3798.99
    MTBE 2985.92
    2-butoxyethanol 1102.75
    propionic acid 2494.45
    o-xylene 702.1
    formic acid 866.39
    diethyl ether 3529.24
    m-xylene 791.21
    p-xylene 960.54
    chlorobenzene 2114.94
    dimethyl carbonate 630.04
    n-octane 115.46
    formamide 1206.77
    cyclopentanone 4242.62
    2-pentanone 3066.45
    anisole 1261.98
    cyclopentyl methyl ether 2700.98
    gamma-butyrolactone 4293.23
    1-methoxy-2-propanol 2347.75
    pyridine 4149.3
    3-pentanone 1975.63
    furfural 3002.63
    n-dodecane 79.43
    diethylene glycol 1392.33
    diisopropyl ether 812.47
    tert-amyl alcohol 3136.77
    acetylacetone 2351.63
    n-hexadecane 94.03
    acetophenone 1144.35
    methyl propionate 2041.76
    isopentyl acetate 2085.29
    trichloroethylene 7202.88
    n-nonanol 746.07
    cyclohexanol 3171.54
    benzyl alcohol 1109.98
    2-ethylhexanol 1280.82
    isooctanol 627.92
    dipropyl ether 1354.86
    1,2-dichlorobenzene 1651.72
    ethyl lactate 593.42
    propylene carbonate 2197.37
    n-methylformamide 2518.42
    2-pentanol 2500.25
    n-pentane 638.82
    1-propoxy-2-propanol 1854.96
    1-methoxy-2-propyl acetate 1504.52
    2-(2-methoxypropoxy) propanol 1059.48
    mesitylene 504.72
    ε-caprolactone 3473.29
    p-cymene 422.81
    epichlorohydrin 4519.83
    1,1,1-trichloroethane 3739.34
    2-aminoethanol 1318.52
    morpholine-4-carbaldehyde 2833.2
    sulfolane 4576.06
    2,2,4-trimethylpentane 225.98
    2-methyltetrahydrofuran 4336.18
    n-hexyl acetate 1822.19
    isooctane 184.33
    2-(2-butoxyethoxy)ethanol 1579.5
    sec-butyl acetate 1148.78
    tert-butyl acetate 1592.18
    decalin 367.01
    glycerin 880.52
    diglyme 2543.73
    acrylic acid 2006.02
    isopropyl myristate 581.0
    n-butyric acid 3916.53
    acetyl acetate 1459.6
    di(2-ethylhexyl) phthalate 492.26
    ethyl propionate 1470.52
    nitromethane 4683.99
    1,2-diethoxyethane 2120.85
    benzonitrile 1875.7
    trioctyl phosphate 370.48
    1-bromopropane 3290.58
    gamma-valerolactone 4192.52
    n-decanol 508.73
    triethyl phosphate 471.97
    4-methyl-2-pentanol 1004.62
    propionitrile 2779.81
    vinylene carbonate 1956.47
    1,1,2-trichlorotrifluoroethane 2830.21
    DMS 1000.11
    cumene 463.08
    2-octanol 636.16
    2-hexanone 2239.35
    octyl acetate 764.71
    limonene 777.38
    1,2-dimethoxyethane 3226.06
    ethyl orthosilicate 483.13
    tributyl phosphate 526.74
    diacetone alcohol 1607.69
    N,N-dimethylaniline 812.45
    acrylonitrile 3049.72
    aniline 1718.26
    1,3-propanediol 1920.96
    bromobenzene 2267.8
    dibromomethane 4501.99
    1,1,2,2-tetrachloroethane 5749.75
    2-methyl-cyclohexyl acetate 931.86
    tetrabutyl urea 680.37
    diisobutyl methanol 600.94
    2-phenylethanol 1152.88
    styrene 1157.72
    dioctyl adipate 762.33
    dimethyl sulfate 950.2
    ethyl butyrate 1352.75
    methyl lactate 796.66
    butyl lactate 922.46
    diethyl carbonate 786.86
    propanediol butyl ether 1267.62
    triethyl orthoformate 777.95
    p-tert-butyltoluene 393.46
    methyl 4-tert-butylbenzoate 822.05
    morpholine 5345.24
    tert-butylamine 2662.95
    n-dodecanol 371.5
    dimethoxymethane 2173.1
    ethylene carbonate 1643.47
    cyrene 788.69
    2-ethoxyethyl acetate 1366.02
    2-ethylhexyl acetate 1504.11
    1,2,4-trichlorobenzene 1786.43
    4-methylpyridine 4056.45
    dibutyl ether 1386.4
    2,6-dimethyl-4-heptanol 600.94
    DEF 3320.45
    dimethyl isosorbide 1533.9
    tetrachloroethylene 3531.33
    eugenol 897.13
    triacetin 1153.81
    span 80 1139.69
    1,4-butanediol 753.81
    1,1-dichloroethane 4553.6
    2-methyl-1-pentanol 1862.04
    methyl formate 1576.79
    2-methyl-1-butanol 2723.53
    n-decane 152.14
    butyronitrile 3556.55
    3,7-dimethyl-1-octanol 921.87
    1-chlorooctane 683.12
    1-chlorotetradecane 228.59
    n-nonane 164.39
    undecane 105.07
    tert-butylcyclohexane 314.07
    cyclooctane 266.03
    cyclopentanol 2878.84
    tetrahydropyran 5638.52
    tert-amyl methyl ether 1891.56
    2,5,8-trioxanonane 1681.53
    1-hexene 2646.61
    2-isopropoxyethanol 1232.5
    2,2,2-trifluoroethanol 802.89
    methyl butyrate 2320.02

    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