4-Heptenal, (4Z)-

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  • Identifiers

    CAS number
    6728-31-0

    Molecular formula
    C7H12O

    SMILES
    CC/C=C\CCC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 92.13%
    Fatty 71.37%
    Fruity 64.84%
    Vegetable 62.3%
    Melon 61.49%
    Fresh 60.28%
    Cucumber 52.94%
    Leafy 50.18%
    Aldehydic 47.44%
    Grassy 43.65%

     

    Flavor
    Green 84.86%
    Fatty 71.66%
    Vegetable 49.53%
    Cucumber 47.62%
    Melon 45.11%
    Fresh 44.72%
    Fat 37.04%
    Grassy 36.05%
    Leaf 35.97%
    Oily 35.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.85 (neutral)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 60.00 °C. @ 30.00 mm Hg

    Flash point

    • 49.79 ˚C est.

    Solubility expt.

    • soluble in alcohol and most fixed oils; insoluble in water

  • Synonyms

    • cis-4-Heptenal
    • 6728-31-0
    • (Z)-Hept-4-enal
    • cis-4-Hepten-1-al
    • (Z)-4-heptenal
    • 4-Heptenal, (Z)-
    • (Z)-4-Hepten-1-al
    • 4-Heptenal, cis-
    • (4Z)-4-Heptenal
    • Propylidenebutyraldehyde
    • 4-Heptenal, (4Z)-
    • FEMA No. 3289
    • Hept-cis-4-enal
    • (4Z)-HEPT-4-ENAL
    • 4-(Z)-heptenal
    • 5BJ99WWP64
    • Hept-4(Z)-enal
    • ( Z)-Hept-4-enal
    • EINECS 229-779-7
    • AI3-36035
    • 4-Heptenal
    • DTXSID50884332
    • (Z)-4-HEPTEN-1-AL [FCC]
    • UNII-5BJ99WWP64
    • cis4Hepten1al
    • 4Heptenal, cis
    • z-4-heptenal
    • (4Z)-4-Heptenal; (Z)-4-Heptenal; (4Z)-Heptenal; (Z)-4-Heptenal; 4-cis-Heptenal
    • (Z)Hept4enal
    • (Z)Hept4en1al
    • MFCD00014682
    • 4Heptenal, (Z)
    • 4Heptenal, (4Z)
    • 4-Heptenal,(4Z)-
    • SCHEMBL120184
    • FEMA 3289
    • CHEBI:195657
    • DTXCID901023781
    • cis-4-Hepten-1-al, analytical standard
    • H0520
    • NS00082497
    • cis-4-Heptenal, >=98%, stabilized, FCC, FG
    • EN300-7598290
    • Q27261791

  • Applications

    Cis-4-Heptenal (CAS 6728-31-0) is a straight-chain aldehyde with a characteristic green, slightly fruity odour that naturally arises during fatty-acid oxidation in vegetable oils and contributes to the fresh notes of cucumber, apple, tomato, cocoa and young leaves; in the flavour and fragrance industry it is employed as a nuance builder to reproduce “green, fresh, fatty” facets in perfumes, scented candles, detergents and deodorants, and is dosed at trace levels in food flavour formulations to boost freshness in beverages, chewing gum, seasonings and instant soups; moreover, it serves as a synthetic intermediate for more complex aroma chemicals, as an analytical standard for evaluating edible-oil quality and studying lipid oxidation mechanisms, and as a molecular probe in biological research to mimic endogenous aldehydes that trigger cellular stress signaling.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3459.53
    methanol 4052.67
    isopropanol 2224.15
    water 0.76
    ethyl acetate 2568.73
    n-propanol 2360.18
    acetone 6102.48
    n-butanol 2138.89
    acetonitrile 2752.08
    DMF 4079.22
    toluene 997.24
    isobutanol 1540.21
    1,4-dioxane 2459.92
    methyl acetate 2135.36
    THF 4880.81
    2-butanone 3676.74
    n-pentanol 1253.35
    sec-butanol 1718.69
    n-hexane 651.71
    ethylene glycol 458.96
    NMP 4040.45
    cyclohexane 601.35
    DMSO 8329.17
    n-butyl acetate 2432.47
    n-octanol 540.7
    chloroform 3896.65
    n-propyl acetate 1811.05
    acetic acid 2242.99
    dichloromethane 5098.28
    cyclohexanone 4476.7
    propylene glycol 633.67
    isopropyl acetate 1141.02
    DMAc 1725.51
    2-ethoxyethanol 1316.27
    isopentanol 1539.36
    n-heptane 289.62
    ethyl formate 1405.14
    1,2-dichloroethane 3585.56
    n-hexanol 1337.87
    2-methoxyethanol 2626.6
    isobutyl acetate 836.31
    tetrachloromethane 934.9
    n-pentyl acetate 991.99
    transcutol 5908.48
    n-heptanol 422.16
    ethylbenzene 551.28
    MIBK 1108.32
    2-propoxyethanol 1790.95
    tert-butanol 2013.4
    MTBE 1799.88
    2-butoxyethanol 800.87
    propionic acid 1988.83
    o-xylene 528.43
    formic acid 609.5
    diethyl ether 2385.89
    m-xylene 628.51
    p-xylene 630.43
    chlorobenzene 1628.22
    dimethyl carbonate 537.36
    n-octane 84.14
    formamide 1160.13
    cyclopentanone 5614.38
    2-pentanone 2971.96
    anisole 988.89
    cyclopentyl methyl ether 2602.56
    gamma-butyrolactone 4810.25
    1-methoxy-2-propanol 1819.42
    pyridine 3108.48
    3-pentanone 1902.39
    furfural 2966.56
    n-dodecane 47.48
    diethylene glycol 1034.89
    diisopropyl ether 546.66
    tert-amyl alcohol 1600.75
    acetylacetone 2180.68
    n-hexadecane 55.39
    acetophenone 949.68
    methyl propionate 1899.76
    isopentyl acetate 1567.06
    trichloroethylene 5793.14
    n-nonanol 414.51
    cyclohexanol 1855.6
    benzyl alcohol 772.37
    2-ethylhexanol 833.97
    isooctanol 350.24
    dipropyl ether 1224.61
    1,2-dichlorobenzene 1348.19
    ethyl lactate 465.63
    propylene carbonate 2005.67
    n-methylformamide 2489.91
    2-pentanol 1335.08
    n-pentane 426.25
    1-propoxy-2-propanol 1451.26
    1-methoxy-2-propyl acetate 1299.05
    2-(2-methoxypropoxy) propanol 740.3
    mesitylene 374.34
    ε-caprolactone 2842.12
    p-cymene 329.92
    epichlorohydrin 4175.33
    1,1,1-trichloroethane 2841.35
    2-aminoethanol 1011.62
    morpholine-4-carbaldehyde 2476.66
    sulfolane 5982.41
    2,2,4-trimethylpentane 147.51
    2-methyltetrahydrofuran 4701.42
    n-hexyl acetate 1315.48
    isooctane 112.33
    2-(2-butoxyethoxy)ethanol 1151.44
    sec-butyl acetate 909.73
    tert-butyl acetate 1160.42
    decalin 246.2
    glycerin 699.68
    diglyme 2120.33
    acrylic acid 1517.05
    isopropyl myristate 368.29
    n-butyric acid 2548.01
    acetyl acetate 966.76
    di(2-ethylhexyl) phthalate 338.4
    ethyl propionate 1298.81
    nitromethane 3976.51
    1,2-diethoxyethane 2045.94
    benzonitrile 1371.9
    trioctyl phosphate 251.99
    1-bromopropane 2447.82
    gamma-valerolactone 4117.83
    n-decanol 295.05
    triethyl phosphate 384.87
    4-methyl-2-pentanol 550.38
    propionitrile 2042.44
    vinylene carbonate 1590.54
    1,1,2-trichlorotrifluoroethane 2321.23
    DMS 866.3
    cumene 330.52
    2-octanol 340.73
    2-hexanone 2159.68
    octyl acetate 468.27
    limonene 607.94
    1,2-dimethoxyethane 2292.96
    ethyl orthosilicate 397.48
    tributyl phosphate 402.95
    diacetone alcohol 1309.63
    N,N-dimethylaniline 566.15
    acrylonitrile 2454.12
    aniline 1344.55
    1,3-propanediol 1363.04
    bromobenzene 1760.64
    dibromomethane 3624.52
    1,1,2,2-tetrachloroethane 3853.53
    2-methyl-cyclohexyl acetate 745.07
    tetrabutyl urea 517.74
    diisobutyl methanol 440.43
    2-phenylethanol 808.22
    styrene 806.85
    dioctyl adipate 574.58
    dimethyl sulfate 983.89
    ethyl butyrate 1296.54
    methyl lactate 608.71
    butyl lactate 697.15
    diethyl carbonate 639.99
    propanediol butyl ether 940.17
    triethyl orthoformate 674.58
    p-tert-butyltoluene 300.83
    methyl 4-tert-butylbenzoate 578.14
    morpholine 3545.04
    tert-butylamine 1359.35
    n-dodecanol 218.86
    dimethoxymethane 1787.76
    ethylene carbonate 1255.51
    cyrene 635.98
    2-ethoxyethyl acetate 1225.12
    2-ethylhexyl acetate 1225.03
    1,2,4-trichlorobenzene 1436.75
    4-methylpyridine 2923.44
    dibutyl ether 1093.45
    2,6-dimethyl-4-heptanol 440.43
    DEF 2483.34
    dimethyl isosorbide 1289.33
    tetrachloroethylene 2666.58
    eugenol 640.12
    triacetin 911.97
    span 80 749.03
    1,4-butanediol 492.22
    1,1-dichloroethane 3355.35
    2-methyl-1-pentanol 1033.64
    methyl formate 1525.35
    2-methyl-1-butanol 1494.79
    n-decane 95.55
    butyronitrile 2298.48
    3,7-dimethyl-1-octanol 592.38
    1-chlorooctane 457.28
    1-chlorotetradecane 137.45
    n-nonane 112.7
    undecane 64.21
    tert-butylcyclohexane 226.33
    cyclooctane 180.11
    cyclopentanol 2306.28
    tetrahydropyran 3994.35
    tert-amyl methyl ether 1194.42
    2,5,8-trioxanonane 1219.37
    1-hexene 1633.0
    2-isopropoxyethanol 916.51
    2,2,2-trifluoroethanol 523.42
    methyl butyrate 1943.58

    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