Pent-3-en-1-yl butanoate

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  • Identifiers

    CAS number
    88296-24-6

    Molecular formula
    C9H16O2

    SMILES
    CCCC(=O)OCCC=CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 92.27%
    Green 84.94%
    Apple 69.64%
    Tropical 64.0%
    Pineapple 60.0%
    Sweet 55.12%
    Fresh 51.81%
    Banana 49.32%
    Pear 46.66%
    Ripe 42.8%

     

    Flavor
    Fruity 85.39%
    Green 71.21%
    Apple 65.66%
    Pineapple 54.0%
    Sweet 49.56%
    Pear 49.27%
    Banana 47.94%
    Fresh 47.5%
    Tropical 44.8%
    Fruit 41.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.51 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    189°C

    Flash point

    • 69.47 ˚C est.

  • Synonyms

    • Pent-3-en-1-yl butanoate
    • 88296-24-6
    • DTXSID00829177
    • 88296-24-6

  • Applications

    Pent-3-en-1-yl butanoate (CAS 88296-24-6) is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing a characteristic aroma and often serving as a fixing component in certain formulations. It may be evaluated for use as a flavor/aroma ingredient in specialty foods and beverages, subject to regulation. The compound also functions as an intermediate in the synthesis of other fragrance chemicals. In household products such as cleaners and air fresheners, it can be added as a fragrance additive, and in coatings and inks it may be incorporated to impart aroma and support controlled release in fragrance-release applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3263.59
    methanol 3957.08
    isopropanol 2521.85
    water 1.37
    ethyl acetate 1995.37
    n-propanol 2457.54
    acetone 3444.67
    n-butanol 2327.89
    acetonitrile 2672.11
    DMF 3666.25
    toluene 985.23
    isobutanol 1978.65
    1,4-dioxane 2750.91
    methyl acetate 1652.44
    THF 3312.41
    2-butanone 2258.82
    n-pentanol 1736.64
    sec-butanol 2303.0
    n-hexane 918.57
    ethylene glycol 432.56
    NMP 2961.31
    cyclohexane 952.45
    DMSO 3626.48
    n-butyl acetate 1750.08
    n-octanol 798.0
    chloroform 5497.31
    n-propyl acetate 1314.29
    acetic acid 3307.03
    dichloromethane 4711.29
    cyclohexanone 3241.05
    propylene glycol 665.76
    isopropyl acetate 1140.07
    DMAc 2276.48
    2-ethoxyethanol 1375.38
    isopentanol 2001.58
    n-heptane 272.49
    ethyl formate 1156.39
    1,2-dichloroethane 2924.66
    n-hexanol 1749.25
    2-methoxyethanol 2208.94
    isobutyl acetate 763.17
    tetrachloromethane 853.55
    n-pentyl acetate 988.29
    transcutol 4796.62
    n-heptanol 607.29
    ethylbenzene 658.73
    MIBK 1026.15
    2-propoxyethanol 1753.63
    tert-butanol 2932.61
    MTBE 2170.74
    2-butoxyethanol 873.3
    propionic acid 1918.17
    o-xylene 588.39
    formic acid 811.78
    diethyl ether 2466.09
    m-xylene 648.88
    p-xylene 838.19
    chlorobenzene 1641.64
    dimethyl carbonate 456.66
    n-octane 107.17
    formamide 982.87
    cyclopentanone 2819.57
    2-pentanone 1939.4
    anisole 1057.1
    cyclopentyl methyl ether 1907.4
    gamma-butyrolactone 2886.49
    1-methoxy-2-propanol 1699.36
    pyridine 2846.73
    3-pentanone 1333.3
    furfural 2114.59
    n-dodecane 79.81
    diethylene glycol 1074.31
    diisopropyl ether 606.89
    tert-amyl alcohol 2409.5
    acetylacetone 1602.35
    n-hexadecane 91.79
    acetophenone 960.88
    methyl propionate 1327.99
    isopentyl acetate 1396.83
    trichloroethylene 4953.43
    n-nonanol 654.13
    cyclohexanol 2327.98
    benzyl alcohol 928.23
    2-ethylhexanol 987.61
    isooctanol 506.28
    dipropyl ether 992.68
    1,2-dichlorobenzene 1274.85
    ethyl lactate 478.02
    propylene carbonate 1572.71
    n-methylformamide 1691.22
    2-pentanol 1784.76
    n-pentane 547.53
    1-propoxy-2-propanol 1339.7
    1-methoxy-2-propyl acetate 1046.46
    2-(2-methoxypropoxy) propanol 930.53
    mesitylene 429.41
    ε-caprolactone 2395.08
    p-cymene 352.64
    epichlorohydrin 2919.97
    1,1,1-trichloroethane 2805.29
    2-aminoethanol 1047.6
    morpholine-4-carbaldehyde 2175.97
    sulfolane 3316.84
    2,2,4-trimethylpentane 219.89
    2-methyltetrahydrofuran 3070.76
    n-hexyl acetate 1454.32
    isooctane 157.97
    2-(2-butoxyethoxy)ethanol 1284.36
    sec-butyl acetate 836.72
    tert-butyl acetate 1168.22
    decalin 340.67
    glycerin 778.17
    diglyme 2024.58
    acrylic acid 1652.82
    isopropyl myristate 467.5
    n-butyric acid 2796.76
    acetyl acetate 1107.65
    di(2-ethylhexyl) phthalate 440.67
    ethyl propionate 1043.97
    nitromethane 3501.39
    1,2-diethoxyethane 1652.49
    benzonitrile 1456.67
    trioctyl phosphate 316.24
    1-bromopropane 2310.24
    gamma-valerolactone 2820.95
    n-decanol 446.87
    triethyl phosphate 411.21
    4-methyl-2-pentanol 794.72
    propionitrile 1969.83
    vinylene carbonate 1437.15
    1,1,2-trichlorotrifluoroethane 2117.33
    DMS 819.1
    cumene 418.01
    2-octanol 507.45
    2-hexanone 1557.65
    octyl acetate 621.61
    limonene 628.39
    1,2-dimethoxyethane 2422.24
    ethyl orthosilicate 426.27
    tributyl phosphate 455.12
    diacetone alcohol 1147.48
    N,N-dimethylaniline 720.8
    acrylonitrile 2135.89
    aniline 1317.29
    1,3-propanediol 1404.59
    bromobenzene 1782.15
    dibromomethane 3577.45
    1,1,2,2-tetrachloroethane 4325.92
    2-methyl-cyclohexyl acetate 770.67
    tetrabutyl urea 573.83
    diisobutyl methanol 486.58
    2-phenylethanol 856.82
    styrene 931.61
    dioctyl adipate 651.24
    dimethyl sulfate 746.87
    ethyl butyrate 951.53
    methyl lactate 594.02
    butyl lactate 721.48
    diethyl carbonate 626.08
    propanediol butyl ether 998.53
    triethyl orthoformate 618.07
    p-tert-butyltoluene 325.65
    methyl 4-tert-butylbenzoate 741.57
    morpholine 3501.36
    tert-butylamine 2139.44
    n-dodecanol 325.25
    dimethoxymethane 1438.08
    ethylene carbonate 1190.46
    cyrene 732.52
    2-ethoxyethyl acetate 1047.59
    2-ethylhexyl acetate 1041.7
    1,2,4-trichlorobenzene 1383.21
    4-methylpyridine 2814.79
    dibutyl ether 1155.44
    2,6-dimethyl-4-heptanol 486.58
    DEF 2197.45
    dimethyl isosorbide 1222.91
    tetrachloroethylene 2716.72
    eugenol 764.45
    triacetin 1016.29
    span 80 919.14
    1,4-butanediol 625.93
    1,1-dichloroethane 3274.95
    2-methyl-1-pentanol 1513.2
    methyl formate 1097.28
    2-methyl-1-butanol 1968.12
    n-decane 145.93
    butyronitrile 2541.09
    3,7-dimethyl-1-octanol 753.45
    1-chlorooctane 576.88
    1-chlorotetradecane 204.93
    n-nonane 156.78
    undecane 103.06
    tert-butylcyclohexane 292.64
    cyclooctane 222.66
    cyclopentanol 2075.87
    tetrahydropyran 3759.03
    tert-amyl methyl ether 1482.79
    2,5,8-trioxanonane 1407.91
    1-hexene 2063.86
    2-isopropoxyethanol 1017.08
    2,2,2-trifluoroethanol 732.48
    methyl butyrate 1596.27

    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