4-Hexen-3-one, (4Z)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    50396-96-8

    Molecular formula
    C6H10O

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Pungent 67.01%
    Green 57.88%
    Spicy 55.99%
    Ethereal 54.97%
    Metallic 49.51%
    Fruity 48.07%
    Earthy 46.06%
    Nutty 45.95%
    Radish 45.34%
    Sweet 44.74%

     

    Flavor
    Pungent 62.42%
    Green 55.71%
    Ethereal 53.78%
    Nutty 35.91%
    Spicy 35.32%
    Fruity 34.58%
    Tropical 31.15%
    Mustard 30.88%
    Vegetable 30.27%
    Onion 27.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.37 (weak base)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    126°C

    Flash point

    • 18.9 ˚C est.

    Solubility expt.

    • slightly soluble in water; soluble in oil
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 4-Hexen-3-one, (4Z)-
    • 50396-96-8
    • (Z)-4-Hexene-3-one
    • (Z)-4-Hexen-3-one
    • DTXSID00885910
    • 4-HEXEN-3-ONE
    • 2497-21-4
    • (Z)-hex-4-en-3-one
    • NSC245483
    • cis-4-hexen-3-one
    • cis-hex-4-en-3-one
    • (4Z)-4-hexen-3-one
    • (4Z)-hex-4-en-3-one
    • CHEBI:183230
    • FEWIGMWODIRUJM-HYXAFXHYSA-N
    • DTXCID501025266
    • NSC-245483
    • DB-258374

  • Applications

    4-Hexen-3-one, (4Z)-, CAS 50396-96-8, is used as an intermediate and odor-active component in fragrance chemistry; in practice, it may be employed as a fragrance ingredient or intermediate in perfumes and personal care products, and is considered as an aroma constituent for household and cleaning products; it is evaluated for flavor/aroma applications in the food sector at a research or development stage; it also serves as an industrial intermediate for the synthesis of fragrance-related compounds and other specialty chemicals in the chemical industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1574.05
    methanol 2016.64
    isopropanol 1384.57
    water 11.34
    ethyl acetate 1242.53
    n-propanol 1360.99
    acetone 1902.97
    n-butanol 1379.96
    acetonitrile 2094.01
    DMF 1960.8
    toluene 686.44
    isobutanol 1135.22
    1,4-dioxane 2024.69
    methyl acetate 1256.8
    THF 2247.97
    2-butanone 1509.48
    n-pentanol 1064.75
    sec-butanol 1339.16
    n-hexane 751.23
    ethylene glycol 378.63
    NMP 2410.3
    cyclohexane 571.72
    DMSO 1860.82
    n-butyl acetate 1198.17
    n-octanol 936.65
    chloroform 3751.48
    n-propyl acetate 995.16
    acetic acid 1686.72
    dichloromethane 3402.91
    cyclohexanone 2052.22
    propylene glycol 476.11
    isopropyl acetate 757.18
    DMAc 1408.88
    2-ethoxyethanol 988.36
    isopentanol 1112.74
    n-heptane 343.42
    ethyl formate 898.99
    1,2-dichloroethane 1868.01
    n-hexanol 1199.46
    2-methoxyethanol 1439.05
    isobutyl acetate 618.05
    tetrachloromethane 916.46
    n-pentyl acetate 912.72
    transcutol 2815.69
    n-heptanol 639.57
    ethylbenzene 562.3
    MIBK 743.2
    2-propoxyethanol 1308.55
    tert-butanol 1561.15
    MTBE 1255.47
    2-butoxyethanol 828.06
    propionic acid 1365.01
    o-xylene 504.38
    formic acid 512.98
    diethyl ether 1365.83
    m-xylene 533.28
    p-xylene 751.8
    chlorobenzene 1223.63
    dimethyl carbonate 420.78
    n-octane 172.9
    formamide 561.94
    cyclopentanone 2244.73
    2-pentanone 1277.33
    anisole 833.89
    cyclopentyl methyl ether 1359.98
    gamma-butyrolactone 2308.45
    1-methoxy-2-propanol 1190.11
    pyridine 1559.88
    3-pentanone 975.15
    furfural 1791.33
    n-dodecane 135.34
    diethylene glycol 869.71
    diisopropyl ether 493.8
    tert-amyl alcohol 1393.42
    acetylacetone 1187.43
    n-hexadecane 148.62
    acetophenone 801.93
    methyl propionate 935.25
    isopentyl acetate 924.67
    trichloroethylene 3361.42
    n-nonanol 719.96
    cyclohexanol 1262.72
    benzyl alcohol 679.94
    2-ethylhexanol 785.09
    isooctanol 531.39
    dipropyl ether 800.15
    1,2-dichlorobenzene 1077.43
    ethyl lactate 431.77
    propylene carbonate 1252.02
    n-methylformamide 1061.18
    2-pentanol 1079.0
    n-pentane 495.62
    1-propoxy-2-propanol 987.43
    1-methoxy-2-propyl acetate 724.09
    2-(2-methoxypropoxy) propanol 714.48
    mesitylene 383.62
    ε-caprolactone 1774.0
    p-cymene 364.38
    epichlorohydrin 2035.72
    1,1,1-trichloroethane 2099.71
    2-aminoethanol 672.54
    morpholine-4-carbaldehyde 1772.53
    sulfolane 2617.81
    2,2,4-trimethylpentane 241.07
    2-methyltetrahydrofuran 2143.45
    n-hexyl acetate 1477.19
    isooctane 185.45
    2-(2-butoxyethoxy)ethanol 998.7
    sec-butyl acetate 648.86
    tert-butyl acetate 802.05
    decalin 307.09
    glycerin 570.22
    diglyme 1625.37
    acrylic acid 1237.29
    isopropyl myristate 479.36
    n-butyric acid 1584.04
    acetyl acetate 734.25
    di(2-ethylhexyl) phthalate 396.07
    ethyl propionate 862.3
    nitromethane 2187.68
    1,2-diethoxyethane 1114.81
    benzonitrile 1265.39
    trioctyl phosphate 338.83
    1-bromopropane 1603.35
    gamma-valerolactone 2165.46
    n-decanol 499.12
    triethyl phosphate 352.39
    4-methyl-2-pentanol 551.85
    propionitrile 1495.98
    vinylene carbonate 1225.21
    1,1,2-trichlorotrifluoroethane 1288.3
    DMS 723.58
    cumene 427.78
    2-octanol 611.79
    2-hexanone 1152.48
    octyl acetate 632.42
    limonene 539.95
    1,2-dimethoxyethane 1673.61
    ethyl orthosilicate 349.52
    tributyl phosphate 439.61
    diacetone alcohol 857.47
    N,N-dimethylaniline 634.72
    acrylonitrile 1673.18
    aniline 843.96
    1,3-propanediol 944.58
    bromobenzene 1332.43
    dibromomethane 2443.96
    1,1,2,2-tetrachloroethane 2667.39
    2-methyl-cyclohexyl acetate 609.04
    tetrabutyl urea 544.88
    diisobutyl methanol 417.76
    2-phenylethanol 701.62
    styrene 724.9
    dioctyl adipate 606.3
    dimethyl sulfate 668.1
    ethyl butyrate 782.69
    methyl lactate 506.21
    butyl lactate 616.27
    diethyl carbonate 515.78
    propanediol butyl ether 889.99
    triethyl orthoformate 498.68
    p-tert-butyltoluene 341.21
    methyl 4-tert-butylbenzoate 662.77
    morpholine 2050.77
    tert-butylamine 1186.55
    n-dodecanol 374.92
    dimethoxymethane 977.99
    ethylene carbonate 982.88
    cyrene 562.1
    2-ethoxyethyl acetate 815.07
    2-ethylhexyl acetate 756.03
    1,2,4-trichlorobenzene 1128.68
    4-methylpyridine 1867.64
    dibutyl ether 980.29
    2,6-dimethyl-4-heptanol 417.76
    DEF 1475.9
    dimethyl isosorbide 1014.14
    tetrachloroethylene 1798.43
    eugenol 695.01
    triacetin 881.59
    span 80 738.4
    1,4-butanediol 480.5
    1,1-dichloroethane 2276.23
    2-methyl-1-pentanol 958.65
    methyl formate 830.74
    2-methyl-1-butanol 1167.87
    n-decane 227.58
    butyronitrile 1633.97
    3,7-dimethyl-1-octanol 728.19
    1-chlorooctane 706.53
    1-chlorotetradecane 265.71
    n-nonane 259.87
    undecane 167.83
    tert-butylcyclohexane 333.13
    cyclooctane 210.79
    cyclopentanol 1390.95
    tetrahydropyran 2009.03
    tert-amyl methyl ether 948.55
    2,5,8-trioxanonane 1033.09
    1-hexene 1430.72
    2-isopropoxyethanol 758.06
    2,2,2-trifluoroethanol 517.52
    methyl butyrate 1202.14

    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