(4Z)-4-Hexenyl acetate

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  • Identifiers

    CAS number
    42125-17-7

    Molecular formula
    C8H14O2

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

  • Odor profile

    Fruity 92.92%
    Green 92.63%
    Tropical 57.43%
    Sweet 54.31%
    Fresh 54.02%
    Apple 52.14%
    Banana 51.06%
    Vegetable 48.96%
    Pear 45.94%
    Melon 43.25%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    174°C

    Flash point est.
    59.53 ˚C

  • Synonyms

    • (4Z)-4-Hexenyl acetate
    • [(Z)-hex-4-enyl] acetate
    • 42125-17-7
    • 4-Hexen-1-ol, acetate, (Z)-
    • cis-4-Hexen-1-yl acetate
    • HEX-4-ENYLACETATE
    • (Z)-4-Hexen-1-yl acetate
    • 4-Hexenyl acetate
    • hex-4-enyl acetate
    • (z)-4-hexenyl acetate
    • 4-Hexen-1-ol, 1-acetate
    • SCHEMBL7555801
    • (4Z)-4-Hexen-1-yl acetate
    • (Z)-4-Hexen-1-yl, acetate
    • 2U36A3Y8E2
    • DTXSID601020069
    • 4-Hexen-1-ol, acetate, (4Z)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1408.67
    methanol 1398.95
    isopropanol 1161.56
    water 2.22
    ethyl acetate 658.2
    n-propanol 944.6
    acetone 1286.78
    n-butanol 869.28
    acetonitrile 769.58
    DMF 1902.16
    toluene 292.4
    isobutanol 682.0
    1,4-dioxane 1260.86
    methyl acetate 631.38
    THF 1573.2
    2-butanone 811.18
    n-pentanol 598.26
    sec-butanol 854.55
    n-hexane 208.37
    ethylene glycol 327.38
    NMP 1418.05
    cyclohexane 143.01
    DMSO 1823.3
    n-butyl acetate 418.92
    n-octanol 273.71
    chloroform 1500.56
    n-propyl acetate 340.84
    acetic acid 1153.47
    dichloromethane 1209.15
    cyclohexanone 1037.17
    propylene glycol 516.16
    isopropyl acetate 418.62
    DMAc 1455.63
    2-ethoxyethanol 764.75
    isopentanol 671.72
    n-heptane 65.92
    ethyl formate 334.33
    1,2-dichloroethane 755.64
    n-hexanol 551.1
    2-methoxyethanol 1303.67
    isobutyl acetate 243.91
    tetrachloromethane 222.35
    n-pentyl acetate 275.6
    transcutol 2439.78
    n-heptanol 191.15
    ethylbenzene 177.29
    MIBK 400.66
    2-propoxyethanol 816.76
    tert-butanol 1312.34
    MTBE 870.03
    2-butoxyethanol 369.07
    propionic acid 760.97
    o-xylene 205.61
    formic acid 358.97
    diethyl ether 810.57
    m-xylene 238.92
    p-xylene 212.75
    chlorobenzene 383.73
    dimethyl carbonate 200.28
    n-octane 27.38
    formamide 429.03
    cyclopentanone 1179.46
    2-pentanone 708.99
    anisole 390.53
    cyclopentyl methyl ether 798.63
    gamma-butyrolactone 1083.86
    1-methoxy-2-propanol 1061.75
    pyridine 772.48
    3-pentanone 480.68
    furfural 806.57
    n-dodecane 26.44
    diethylene glycol 633.44
    diisopropyl ether 215.23
    tert-amyl alcohol 978.08
    acetylacetone 713.65
    n-hexadecane 29.32
    acetophenone 331.43
    methyl propionate 508.4
    isopentyl acetate 399.07
    trichloroethylene 1242.94
    n-nonanol 225.92
    cyclohexanol 767.02
    benzyl alcohol 335.32
    2-ethylhexanol 293.39
    isooctanol 166.52
    dipropyl ether 296.4
    1,2-dichlorobenzene 333.01
    ethyl lactate 204.74
    propylene carbonate 509.1
    n-methylformamide 665.69
    2-pentanol 601.81
    n-pentane 127.64
    1-propoxy-2-propanol 544.53
    1-methoxy-2-propyl acetate 431.48
    2-(2-methoxypropoxy) propanol 480.76
    mesitylene 154.03
    ε-caprolactone 786.67
    p-cymene 106.16
    epichlorohydrin 1092.13
    1,1,1-trichloroethane 751.41
    2-aminoethanol 624.0
    morpholine-4-carbaldehyde 1149.5
    sulfolane 1409.96
    2,2,4-trimethylpentane 69.97
    2-methyltetrahydrofuran 1251.51
    n-hexyl acetate 480.16
    isooctane 53.8
    2-(2-butoxyethoxy)ethanol 644.39
    sec-butyl acetate 263.39
    tert-butyl acetate 510.25
    decalin 91.48
    glycerin 588.97
    diglyme 927.63
    acrylic acid 599.4
    isopropyl myristate 172.63
    n-butyric acid 877.63
    acetyl acetate 383.22
    di(2-ethylhexyl) phthalate 183.97
    ethyl propionate 328.74
    nitromethane 1283.83
    1,2-diethoxyethane 623.89
    benzonitrile 391.4
    trioctyl phosphate 124.14
    1-bromopropane 608.98
    gamma-valerolactone 1208.48
    n-decanol 163.85
    triethyl phosphate 148.52
    4-methyl-2-pentanol 299.42
    propionitrile 572.6
    vinylene carbonate 428.96
    1,1,2-trichlorotrifluoroethane 890.88
    DMS 340.7
    cumene 129.61
    2-octanol 152.87
    2-hexanone 455.73
    octyl acetate 219.91
    limonene 192.68
    1,2-dimethoxyethane 1008.51
    ethyl orthosilicate 156.71
    tributyl phosphate 177.1
    diacetone alcohol 618.24
    N,N-dimethylaniline 288.72
    acrylonitrile 648.67
    aniline 465.01
    1,3-propanediol 749.27
    bromobenzene 405.26
    dibromomethane 910.76
    1,1,2,2-tetrachloroethane 1185.21
    2-methyl-cyclohexyl acetate 267.82
    tetrabutyl urea 227.4
    diisobutyl methanol 163.26
    2-phenylethanol 303.73
    styrene 233.14
    dioctyl adipate 270.63
    dimethyl sulfate 390.78
    ethyl butyrate 274.04
    methyl lactate 331.06
    butyl lactate 248.81
    diethyl carbonate 184.45
    propanediol butyl ether 505.42
    triethyl orthoformate 211.03
    p-tert-butyltoluene 112.42
    methyl 4-tert-butylbenzoate 311.79
    morpholine 1594.0
    tert-butylamine 826.67
    n-dodecanol 122.08
    dimethoxymethane 712.24
    ethylene carbonate 359.33
    cyrene 390.9
    2-ethoxyethyl acetate 399.74
    2-ethylhexyl acetate 312.95
    1,2,4-trichlorobenzene 417.02
    4-methylpyridine 807.77
    dibutyl ether 339.14
    2,6-dimethyl-4-heptanol 163.26
    DEF 825.55
    dimethyl isosorbide 626.91
    tetrachloroethylene 699.08
    eugenol 318.68
    triacetin 431.08
    span 80 436.51
    1,4-butanediol 304.76
    1,1-dichloroethane 885.06
    2-methyl-1-pentanol 524.26
    methyl formate 398.11
    2-methyl-1-butanol 653.76
    n-decane 42.67
    butyronitrile 642.84
    3,7-dimethyl-1-octanol 272.68
    1-chlorooctane 174.3
    1-chlorotetradecane 69.68
    n-nonane 43.68
    undecane 32.55
    tert-butylcyclohexane 96.88
    cyclooctane 45.41
    cyclopentanol 793.9
    tetrahydropyran 1252.84
    tert-amyl methyl ether 620.33
    2,5,8-trioxanonane 712.75
    1-hexene 519.51
    2-isopropoxyethanol 533.42
    2,2,2-trifluoroethanol 303.73
    methyl butyrate 435.01

    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
Heracleum platytaenium (Turkey) Heracleum platytaenium Boiss. (syn.H. spathyphyllum C.Koch),fam. Apiaceae 0.04%