4-Hexenyl butyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H18O2

    SMILES
    CCCC(=O)OCCCC=CC

    Retention indicies (RI)

    • Carbowax: 1461.0

  • Odor profile

    Fruity 90.5%
    Green 86.34%
    Tropical 64.94%
    Apple 63.04%
    Pineapple 54.55%
    Pear 48.76%
    Waxy 48.28%
    Sweet 47.21%
    Fresh 46.98%
    Banana 45.07%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    203°C

    Flash point est.
    81.7 ˚C

  • Synonyms

    • 4-hexenyl butyrate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4653.57
    methanol 5033.33
    isopropanol 3876.93
    water 0.67
    ethyl acetate 3250.62
    n-propanol 3425.01
    acetone 5613.51
    n-butanol 3314.49
    acetonitrile 3919.86
    DMF 4657.12
    toluene 1250.28
    isobutanol 2734.96
    1,4-dioxane 3701.7
    methyl acetate 2409.31
    THF 4843.02
    2-butanone 3406.02
    n-pentanol 2271.02
    sec-butanol 3299.01
    n-hexane 1163.69
    ethylene glycol 453.05
    NMP 3409.09
    cyclohexane 1269.74
    DMSO 4855.63
    n-butyl acetate 2640.9
    n-octanol 1162.54
    chloroform 7183.8
    n-propyl acetate 1984.71
    acetic acid 3843.32
    dichloromethane 6733.05
    cyclohexanone 4653.75
    propylene glycol 793.8
    isopropyl acetate 1905.37
    DMAc 2714.17
    2-ethoxyethanol 1839.87
    isopentanol 2808.17
    n-heptane 388.65
    ethyl formate 1642.09
    1,2-dichloroethane 4201.45
    n-hexanol 2354.53
    2-methoxyethanol 2803.15
    isobutyl acetate 1170.15
    tetrachloromethane 1036.84
    n-pentyl acetate 1421.17
    transcutol 6109.07
    n-heptanol 846.95
    ethylbenzene 845.49
    MIBK 1610.98
    2-propoxyethanol 2382.12
    tert-butanol 4192.25
    MTBE 3406.01
    2-butoxyethanol 1187.02
    propionic acid 2317.09
    o-xylene 768.75
    formic acid 739.13
    diethyl ether 3998.74
    m-xylene 871.19
    p-xylene 1070.37
    chlorobenzene 2004.68
    dimethyl carbonate 644.46
    n-octane 171.84
    formamide 985.71
    cyclopentanone 3961.12
    2-pentanone 3139.84
    anisole 1323.31
    cyclopentyl methyl ether 2726.62
    gamma-butyrolactone 3813.46
    1-methoxy-2-propanol 2345.87
    pyridine 3531.06
    3-pentanone 1989.62
    furfural 2505.45
    n-dodecane 125.96
    diethylene glycol 1292.24
    diisopropyl ether 994.07
    tert-amyl alcohol 3353.57
    acetylacetone 2483.18
    n-hexadecane 145.32
    acetophenone 1202.59
    methyl propionate 1944.02
    isopentyl acetate 2020.53
    trichloroethylene 6475.78
    n-nonanol 926.34
    cyclohexanol 3057.33
    benzyl alcohol 1090.76
    2-ethylhexanol 1316.12
    isooctanol 730.84
    dipropyl ether 1562.47
    1,2-dichlorobenzene 1596.39
    ethyl lactate 646.87
    propylene carbonate 2030.45
    n-methylformamide 2076.45
    2-pentanol 2630.74
    n-pentane 739.25
    1-propoxy-2-propanol 1852.92
    1-methoxy-2-propyl acetate 1534.51
    2-(2-methoxypropoxy) propanol 1178.46
    mesitylene 586.24
    ε-caprolactone 3237.97
    p-cymene 457.53
    epichlorohydrin 4238.78
    1,1,1-trichloroethane 3874.68
    2-aminoethanol 1193.98
    morpholine-4-carbaldehyde 2590.89
    sulfolane 4217.3
    2,2,4-trimethylpentane 278.56
    2-methyltetrahydrofuran 4418.27
    n-hexyl acetate 2096.93
    isooctane 224.99
    2-(2-butoxyethoxy)ethanol 1666.83
    sec-butyl acetate 1263.57
    tert-butyl acetate 1835.34
    decalin 435.4
    glycerin 861.13
    diglyme 2657.51
    acrylic acid 1783.9
    isopropyl myristate 701.72
    n-butyric acid 3851.66
    acetyl acetate 1574.7
    di(2-ethylhexyl) phthalate 569.67
    ethyl propionate 1554.27
    nitromethane 4474.03
    1,2-diethoxyethane 2425.03
    benzonitrile 1744.62
    trioctyl phosphate 436.94
    1-bromopropane 3525.93
    gamma-valerolactone 3839.51
    n-decanol 638.95
    triethyl phosphate 533.86
    4-methyl-2-pentanol 1135.75
    propionitrile 2764.08
    vinylene carbonate 1798.77
    1,1,2-trichlorotrifluoroethane 2550.23
    DMS 1083.96
    cumene 533.48
    2-octanol 742.61
    2-hexanone 2275.03
    octyl acetate 923.02
    limonene 825.34
    1,2-dimethoxyethane 3275.1
    ethyl orthosilicate 554.1
    tributyl phosphate 615.73
    diacetone alcohol 1650.77
    N,N-dimethylaniline 878.68
    acrylonitrile 2823.42
    aniline 1548.18
    1,3-propanediol 1703.19
    bromobenzene 2291.31
    dibromomethane 5112.32
    1,1,2,2-tetrachloroethane 5524.28
    2-methyl-cyclohexyl acetate 1018.64
    tetrabutyl urea 781.62
    diisobutyl methanol 668.4
    2-phenylethanol 1059.92
    styrene 1184.0
    dioctyl adipate 921.59
    dimethyl sulfate 979.78
    ethyl butyrate 1416.72
    methyl lactate 792.23
    butyl lactate 976.41
    diethyl carbonate 857.16
    propanediol butyl ether 1327.65
    triethyl orthoformate 863.0
    p-tert-butyltoluene 434.29
    methyl 4-tert-butylbenzoate 968.0
    morpholine 4720.05
    tert-butylamine 2890.52
    n-dodecanol 470.9
    dimethoxymethane 2120.51
    ethylene carbonate 1546.73
    cyrene 884.52
    2-ethoxyethyl acetate 1473.62
    2-ethylhexyl acetate 1490.91
    1,2,4-trichlorobenzene 1644.74
    4-methylpyridine 3588.34
    dibutyl ether 1711.68
    2,6-dimethyl-4-heptanol 668.4
    DEF 2978.29
    dimethyl isosorbide 1589.97
    tetrachloroethylene 3282.12
    eugenol 950.28
    triacetin 1385.18
    span 80 1215.78
    1,4-butanediol 768.37
    1,1-dichloroethane 4851.1
    2-methyl-1-pentanol 1931.68
    methyl formate 1381.01
    2-methyl-1-butanol 2597.33
    n-decane 227.84
    butyronitrile 3739.56
    3,7-dimethyl-1-octanol 1041.52
    1-chlorooctane 874.38
    1-chlorotetradecane 306.49
    n-nonane 248.72
    undecane 161.94
    tert-butylcyclohexane 392.66
    cyclooctane 306.59
    cyclopentanol 2763.14
    tetrahydropyran 5373.65
    tert-amyl methyl ether 2116.89
    2,5,8-trioxanonane 1801.81
    1-hexene 2793.97
    2-isopropoxyethanol 1381.93
    2,2,2-trifluoroethanol 785.71
    methyl butyrate 2394.9

    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

Botanical

Name CAS Botanical Proportion
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.2%