(E,Z)-2,4-heptadienal

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  • Identifiers

    CAS number
    4313-02-4

    Molecular formula
    C7H10O

    SMILES
    CC/C=C\C=C\C=O

    Retention indicies (RI)

    • Carbowax: 1450.5

  • Odor profile

    Green 94.08%
    Fatty 84.95%
    Fruity 79.74%
    Vegetable 65.79%
    Pungent 60.69%
    Aldehydic 59.17%
    Melon 57.62%
    Spicy 55.88%
    Fresh 54.9%
    Oily 54.31%

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  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    182°C

    Flash point est.
    53.6 ˚C

  • Synonyms

    • 2E,4Z-Heptadienal
    • (E,Z)-2,4-heptadienal
    • (2E,4Z)-hepta-2,4-dienal
    • (2E,4Z)-Heptadienal
    • 4313-02-4
    • 2,4-Heptadienal, (E,Z)-
    • SCHEMBL1300200
    • CHEBI:187148
    • SATICYYAWWYRAM-DNVGVPOPSA-N
    • DTXSID901017544
    • LMFA06000126

  • Applications

    (E,Z)-2,4-Heptadienal (CAS 4313-02-4) is used primarily as a flavor and fragrance ingredient imparting fresh green, cucumber/melon, citrus-peel, and warm fatty nuances at trace levels (ppb–ppm) to brighten top notes in beverages, confectionery, dairy, savory foods, fine fragrance, and household aromas; in sensory science and quality control, it serves as an analytical reference for GC–MS/GC–O, a spike for method validation and recovery studies, a training standard for recognizing lipid-oxidation off-odors, and a headspace marker of freshness/rancidity in oils, nuts, and seafood; in research, this α,β-unsaturated dienal functions as a reactive building block (Diels–Alder, Wittig, aldol) toward natural-product/pheromone synthesis, as an electrophile model to probe reactions with biological nucleophiles and oxidative-stress pathways, and in assays of antimicrobial/antifungal activity; additionally, as a volatile arising from lipid oxidation, it is useful for electronic-nose calibration and shelf-life monitoring and in chemical ecology/agriculture studies (attractant/repellent roles subject to safety and regulatory assessment).

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2283.24
    methanol 2541.07
    isopropanol 1348.6
    water 0.62
    ethyl acetate 2176.82
    n-propanol 1528.15
    acetone 4706.8
    n-butanol 1304.27
    acetonitrile 1941.23
    DMF 4396.99
    toluene 766.12
    isobutanol 1006.34
    1,4-dioxane 1753.76
    methyl acetate 2028.02
    THF 3612.54
    2-butanone 3028.1
    n-pentanol 806.55
    sec-butanol 1122.08
    n-hexane 280.55
    ethylene glycol 405.06
    NMP 4295.22
    cyclohexane 279.17
    DMSO 8268.05
    n-butyl acetate 1834.08
    n-octanol 344.22
    chloroform 2614.66
    n-propyl acetate 1374.23
    acetic acid 1730.93
    dichloromethane 3910.31
    cyclohexanone 3467.97
    propylene glycol 532.1
    isopropyl acetate 867.92
    DMAc 1979.7
    2-ethoxyethanol 991.82
    isopentanol 963.21
    n-heptane 144.0
    ethyl formate 1091.3
    1,2-dichloroethane 3156.02
    n-hexanol 873.87
    2-methoxyethanol 2030.18
    isobutyl acetate 606.2
    tetrachloromethane 565.92
    n-pentyl acetate 674.61
    transcutol 4935.98
    n-heptanol 266.58
    ethylbenzene 407.52
    MIBK 880.1
    2-propoxyethanol 1311.81
    tert-butanol 1272.57
    MTBE 1248.42
    2-butoxyethanol 563.41
    propionic acid 1614.67
    o-xylene 439.12
    formic acid 502.71
    diethyl ether 1453.67
    m-xylene 503.12
    p-xylene 470.0
    chlorobenzene 1343.84
    dimethyl carbonate 576.14
    n-octane 40.47
    formamide 1109.13
    cyclopentanone 4870.2
    2-pentanone 2343.92
    anisole 850.11
    cyclopentyl methyl ether 1994.93
    gamma-butyrolactone 4499.11
    1-methoxy-2-propanol 1441.45
    pyridine 2510.47
    3-pentanone 1567.51
    furfural 2723.78
    n-dodecane 25.17
    diethylene glycol 810.77
    diisopropyl ether 349.83
    tert-amyl alcohol 1129.03
    acetylacetone 1946.51
    n-hexadecane 29.72
    acetophenone 845.2
    methyl propionate 1818.47
    isopentyl acetate 1154.08
    trichloroethylene 5188.05
    n-nonanol 262.27
    cyclohexanol 1243.49
    benzyl alcohol 627.82
    2-ethylhexanol 541.84
    isooctanol 218.35
    dipropyl ether 785.78
    1,2-dichlorobenzene 1100.67
    ethyl lactate 380.57
    propylene carbonate 1772.85
    n-methylformamide 2397.83
    2-pentanol 863.91
    n-pentane 194.75
    1-propoxy-2-propanol 1048.03
    1-methoxy-2-propyl acetate 1080.16
    2-(2-methoxypropoxy) propanol 577.36
    mesitylene 288.81
    ε-caprolactone 2340.24
    p-cymene 237.39
    epichlorohydrin 4043.48
    1,1,1-trichloroethane 2191.23
    2-aminoethanol 816.99
    morpholine-4-carbaldehyde 2329.18
    sulfolane 5879.72
    2,2,4-trimethylpentane 82.52
    2-methyltetrahydrofuran 3654.38
    n-hexyl acetate 952.42
    isooctane 67.16
    2-(2-butoxyethoxy)ethanol 901.96
    sec-butyl acetate 690.41
    tert-butyl acetate 897.47
    decalin 144.11
    glycerin 579.96
    diglyme 1696.82
    acrylic acid 1271.84
    isopropyl myristate 255.91
    n-butyric acid 1744.06
    acetyl acetate 810.03
    di(2-ethylhexyl) phthalate 242.14
    ethyl propionate 1035.42
    nitromethane 4007.12
    1,2-diethoxyethane 1456.91
    benzonitrile 1079.03
    trioctyl phosphate 170.36
    1-bromopropane 1711.9
    gamma-valerolactone 3671.33
    n-decanol 189.28
    triethyl phosphate 294.8
    4-methyl-2-pentanol 369.77
    propionitrile 1418.6
    vinylene carbonate 1371.38
    1,1,2-trichlorotrifluoroethane 2130.7
    DMS 805.16
    cumene 244.24
    2-octanol 209.14
    2-hexanone 1586.89
    octyl acetate 338.27
    limonene 433.05
    1,2-dimethoxyethane 1744.87
    ethyl orthosilicate 284.45
    tributyl phosphate 279.15
    diacetone alcohol 1104.46
    N,N-dimethylaniline 481.0
    acrylonitrile 1965.57
    aniline 1089.96
    1,3-propanediol 999.05
    bromobenzene 1394.18
    dibromomethane 2605.27
    1,1,2,2-tetrachloroethane 3378.02
    2-methyl-cyclohexyl acetate 558.78
    tetrabutyl urea 380.2
    diisobutyl methanol 297.0
    2-phenylethanol 612.6
    styrene 610.18
    dioctyl adipate 415.87
    dimethyl sulfate 1115.91
    ethyl butyrate 974.99
    methyl lactate 584.55
    butyl lactate 519.65
    diethyl carbonate 502.1
    propanediol butyl ether 714.41
    triethyl orthoformate 487.15
    p-tert-butyltoluene 216.19
    methyl 4-tert-butylbenzoate 444.31
    morpholine 2731.87
    tert-butylamine 802.24
    n-dodecanol 137.91
    dimethoxymethane 1622.01
    ethylene carbonate 1032.74
    cyrene 534.05
    2-ethoxyethyl acetate 969.96
    2-ethylhexyl acetate 891.81
    1,2,4-trichlorobenzene 1250.36
    4-methylpyridine 2445.73
    dibutyl ether 646.79
    2,6-dimethyl-4-heptanol 297.0
    DEF 2327.38
    dimethyl isosorbide 1100.25
    tetrachloroethylene 2136.39
    eugenol 499.67
    triacetin 717.21
    span 80 528.38
    1,4-butanediol 374.6
    1,1-dichloroethane 2612.36
    2-methyl-1-pentanol 689.2
    methyl formate 1508.32
    2-methyl-1-butanol 986.02
    n-decane 48.3
    butyronitrile 1452.87
    3,7-dimethyl-1-octanol 391.48
    1-chlorooctane 281.07
    1-chlorotetradecane 86.26
    n-nonane 53.63
    undecane 33.77
    tert-butylcyclohexane 132.24
    cyclooctane 93.27
    cyclopentanol 1638.29
    tetrahydropyran 2606.05
    tert-amyl methyl ether 892.79
    2,5,8-trioxanonane 982.36
    1-hexene 847.75
    2-isopropoxyethanol 693.93
    2,2,2-trifluoroethanol 426.17
    methyl butyrate 1507.07

    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
Lemon balm (Finland) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.3%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.04%
Michelia alba leaf (Japan) Michelia alba DC., fam. Magnoliaceae 0.75%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.2%