2,4-Heptadienoic acid, (2Z,4E)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    600716-76-5

    Molecular formula
    C7H10O2

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

    Safety labels

  • Odor profile

    Fragrance
    Green 77.79%
    Fruity 75.35%
    Fatty 74.22%
    Dairy 46.05%
    Waxy 43.91%
    Cheesy 43.8%
    Oily 38.58%
    Melon 37.63%
    Vegetable 36.32%
    Sour 35.44%

     

    Flavor
    Fatty 28.45%
    Sweet 27.82%
    Green 26.09%
    Spicy 23.76%
    Oily 21.45%
    Fruity 20.86%
    Odorless 20.79%
    Pumpkin 20.31%
    Fat 20.04%
    Biscuit 19.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.18 (weak base)

    Molecular weight
    126.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    234°C

    Flash point

    • 105.62 ˚C est.

  • Synonyms

    • 2,4-Heptadienoic acid, (2Z,4E)-
    • UNII-R9AS1JX00J
    • R9AS1JX00J
    • 600716-76-5
    • SCHEMBL6391817
    • (2Z,4E)-2,4-heptadienoic acid
    • Q27288006
    • 600716-76-5

  • Applications

    2,4-Heptadienoic acid, (2Z,4E)- (CAS 600716-76-5) is primarily used as an intermediate in organic synthesis for specialty chemicals. It can be converted to esters, amides, or other derivatives that serve as functional monomers or crosslinking precursors in polymers and plastics. It may also be employed as a reactive building block in coatings and inks. In industrial R&D contexts, it is explored as a starting material for pharmaceutical and agrochemical intermediates. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 302.28
    methanol 430.08
    isopropanol 141.64
    water 3.02
    ethyl acetate 112.29
    n-propanol 188.63
    acetone 283.67
    n-butanol 159.6
    acetonitrile 52.1
    DMF 1064.54
    toluene 26.0
    isobutanol 132.83
    1,4-dioxane 97.47
    methyl acetate 101.64
    THF 522.2
    2-butanone 185.45
    n-pentanol 126.12
    sec-butanol 130.42
    n-hexane 13.85
    ethylene glycol 161.84
    NMP 1264.42
    cyclohexane 4.84
    DMSO 1693.68
    n-butyl acetate 161.67
    n-octanol 60.21
    chloroform 41.0
    n-propyl acetate 102.58
    acetic acid 266.24
    dichloromethane 56.31
    cyclohexanone 273.1
    propylene glycol 193.88
    isopropyl acetate 86.97
    DMAc 641.43
    2-ethoxyethanol 239.0
    isopentanol 163.93
    n-heptane 6.35
    ethyl formate 85.08
    1,2-dichloroethane 86.76
    n-hexanol 144.37
    2-methoxyethanol 435.79
    isobutyl acetate 61.89
    tetrachloromethane 16.71
    n-pentyl acetate 79.08
    transcutol 911.85
    n-heptanol 59.87
    ethylbenzene 27.52
    MIBK 132.49
    2-propoxyethanol 269.62
    tert-butanol 224.74
    MTBE 116.82
    2-butoxyethanol 140.52
    propionic acid 208.88
    o-xylene 35.92
    formic acid 178.54
    diethyl ether 53.37
    m-xylene 38.93
    p-xylene 31.43
    chlorobenzene 44.89
    dimethyl carbonate 95.41
    n-octane 2.17
    formamide 274.2
    cyclopentanone 584.05
    2-pentanone 199.3
    anisole 92.42
    cyclopentyl methyl ether 236.1
    gamma-butyrolactone 601.22
    1-methoxy-2-propanol 347.36
    pyridine 102.39
    3-pentanone 112.51
    furfural 376.67
    n-dodecane 1.76
    diethylene glycol 254.61
    diisopropyl ether 30.76
    tert-amyl alcohol 229.95
    acetylacetone 218.74
    n-hexadecane 2.0
    acetophenone 124.87
    methyl propionate 159.7
    isopentyl acetate 146.69
    trichloroethylene 167.17
    n-nonanol 49.76
    cyclohexanol 122.42
    benzyl alcohol 97.58
    2-ethylhexanol 82.61
    isooctanol 48.56
    dipropyl ether 54.89
    1,2-dichlorobenzene 64.44
    ethyl lactate 87.72
    propylene carbonate 251.51
    n-methylformamide 394.79
    2-pentanol 104.88
    n-pentane 6.06
    1-propoxy-2-propanol 199.76
    1-methoxy-2-propyl acetate 181.19
    2-(2-methoxypropoxy) propanol 182.2
    mesitylene 30.03
    ε-caprolactone 256.8
    p-cymene 26.81
    epichlorohydrin 385.54
    1,1,1-trichloroethane 59.01
    2-aminoethanol 273.97
    morpholine-4-carbaldehyde 483.6
    sulfolane 1232.67
    2,2,4-trimethylpentane 9.25
    2-methyltetrahydrofuran 332.93
    n-hexyl acetate 131.53
    isooctane 7.19
    2-(2-butoxyethoxy)ethanol 263.15
    sec-butyl acetate 70.24
    tert-butyl acetate 145.05
    decalin 9.24
    glycerin 278.76
    diglyme 359.96
    acrylic acid 211.68
    isopropyl myristate 39.54
    n-butyric acid 221.56
    acetyl acetate 67.35
    di(2-ethylhexyl) phthalate 60.4
    ethyl propionate 92.65
    nitromethane 398.45
    1,2-diethoxyethane 121.44
    benzonitrile 73.68
    trioctyl phosphate 42.9
    1-bromopropane 31.4
    gamma-valerolactone 503.71
    n-decanol 35.47
    triethyl phosphate 53.84
    4-methyl-2-pentanol 77.54
    propionitrile 61.6
    vinylene carbonate 155.04
    1,1,2-trichlorotrifluoroethane 358.17
    DMS 118.82
    cumene 28.31
    2-octanol 38.91
    2-hexanone 143.03
    octyl acetate 57.96
    limonene 44.03
    1,2-dimethoxyethane 246.0
    ethyl orthosilicate 49.33
    tributyl phosphate 59.55
    diacetone alcohol 291.94
    N,N-dimethylaniline 89.71
    acrylonitrile 95.88
    aniline 85.87
    1,3-propanediol 257.1
    bromobenzene 37.13
    dibromomethane 37.12
    1,1,2,2-tetrachloroethane 159.42
    2-methyl-cyclohexyl acetate 90.61
    tetrabutyl urea 86.85
    diisobutyl methanol 47.78
    2-phenylethanol 106.01
    styrene 28.05
    dioctyl adipate 79.08
    dimethyl sulfate 304.86
    ethyl butyrate 89.4
    methyl lactate 168.34
    butyl lactate 116.09
    diethyl carbonate 57.95
    propanediol butyl ether 228.07
    triethyl orthoformate 63.85
    p-tert-butyltoluene 27.88
    methyl 4-tert-butylbenzoate 122.28
    morpholine 209.66
    tert-butylamine 115.75
    n-dodecanol 24.72
    dimethoxymethane 277.97
    ethylene carbonate 116.06
    cyrene 189.06
    2-ethoxyethyl acetate 132.84
    2-ethylhexyl acetate 106.41
    1,2,4-trichlorobenzene 94.32
    4-methylpyridine 132.98
    dibutyl ether 44.94
    2,6-dimethyl-4-heptanol 47.78
    DEF 266.57
    dimethyl isosorbide 291.19
    tetrachloroethylene 102.61
    eugenol 128.96
    triacetin 124.42
    span 80 154.23
    1,4-butanediol 117.32
    1,1-dichloroethane 46.0
    2-methyl-1-pentanol 137.73
    methyl formate 209.09
    2-methyl-1-butanol 161.85
    n-decane 2.91
    butyronitrile 68.26
    3,7-dimethyl-1-octanol 68.48
    1-chlorooctane 19.73
    1-chlorotetradecane 7.09
    n-nonane 2.86
    undecane 2.24
    tert-butylcyclohexane 11.96
    cyclooctane 2.91
    cyclopentanol 211.82
    tetrahydropyran 96.69
    tert-amyl methyl ether 116.89
    2,5,8-trioxanonane 253.13
    1-hexene 40.8
    2-isopropoxyethanol 158.85
    2,2,2-trifluoroethanol 90.91
    methyl butyrate 137.56

    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