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

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  • Identifiers

    CAS number
    30361-30-9

    Molecular formula
    C6H8O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 51.63%
    Spicy 45.53%
    Sweet 42.63%
    Sour 39.24%
    Caramellic 37.62%
    Green 37.21%
    Fatty 36.14%
    Pungent 34.96%
    Cheesy 33.49%
    Sharp 33.37%

     

    Flavor
    Sweet 32.76%
    Odorless 30.11%
    Spicy 26.89%
    Cinnamon 22.83%
    Phenolic 20.96%
    Formyl 20.2%
    Red hots 19.92%
    Nitrile 19.73%
    Filbert 19.72%
    Almond shell 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.54 (neutral)

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    229°C

    Flash point

    • 112.61 ˚C est.

  • Synonyms

    • 30361-30-9
    • (2E,4Z)-2,4-hexadienoic acid
    • DTXSID301309200
    • RefChem:1049811
    • DTXCID101739089
    • (2E,4Z)-hexa-2,4-dienoic acid
    • trans,cis-Sorbic acid
    • 2,4-Hexadienoic acid, (2E,4Z)-
    • (2E,4Z)-sorbic acid
    • (2E,4Z)-SA
    • NSC49103
    • (2E,4Z)-2,4-Hexadienoic acid; 2-trans,4-cis-Hexadienoic acid
    • MFCD31801264
    • SCHEMBL5374461
    • CHEBI:38361
    • NSC50268
    • EBC-12172
    • (2E, 4Z)-2, 4-hexadienoic acid
    • AKOS037645338
    • 2-trans,4-cis-hexa -2,4-dienoic acid
    • AS-60253
    • D86563
    • EN300-22861890
    • Q27117557
    • 30361-30-9

  • Applications

    (2E,4Z)-2,4-Hexadienoic acid is a monocarboxylic acid with a conjugated diene chain, commonly used as an organic synthesis building block in industrial manufacturing. In polymers and plastics, it can serve as a versatile building block for unsaturated polymers and specialty resins. In coatings and inks, it may be employed to introduce conjugated unsaturation that enables crosslinking or to form esters for resin systems used in UV-curable formulations. In adhesives, it can act as a reactive modifier of polymer networks. It can also be converted to esters or amides for fragrance synthesis, serving as a precursor in fragrance chemistry, with use governed by formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 138.39
    methanol 145.36
    isopropanol 86.82
    water 2.97
    ethyl acetate 56.89
    n-propanol 85.95
    acetone 137.16
    n-butanol 112.94
    acetonitrile 27.53
    DMF 506.03
    toluene 6.78
    isobutanol 64.58
    1,4-dioxane 132.26
    methyl acetate 54.81
    THF 262.22
    2-butanone 68.69
    n-pentanol 67.36
    sec-butanol 71.58
    n-hexane 3.68
    ethylene glycol 72.74
    NMP 375.03
    cyclohexane 2.82
    DMSO 412.65
    n-butyl acetate 66.14
    n-octanol 51.48
    chloroform 19.57
    n-propyl acetate 38.49
    acetic acid 136.11
    dichloromethane 34.48
    cyclohexanone 113.59
    propylene glycol 86.22
    isopropyl acetate 46.15
    DMAc 263.65
    2-ethoxyethanol 106.44
    isopentanol 95.95
    n-heptane 5.61
    ethyl formate 58.77
    1,2-dichloroethane 30.88
    n-hexanol 82.85
    2-methoxyethanol 229.7
    isobutyl acetate 27.03
    tetrachloromethane 4.36
    n-pentyl acetate 41.39
    transcutol 287.69
    n-heptanol 46.37
    ethylbenzene 9.5
    MIBK 56.91
    2-propoxyethanol 152.94
    tert-butanol 132.99
    MTBE 56.41
    2-butoxyethanol 91.44
    propionic acid 88.55
    o-xylene 12.52
    formic acid 73.6
    diethyl ether 36.37
    m-xylene 13.89
    p-xylene 11.55
    chlorobenzene 13.87
    dimethyl carbonate 46.15
    n-octane 2.54
    formamide 95.5
    cyclopentanone 183.97
    2-pentanone 77.7
    anisole 42.38
    cyclopentyl methyl ether 79.04
    gamma-butyrolactone 218.46
    1-methoxy-2-propanol 192.82
    pyridine 44.8
    3-pentanone 40.81
    furfural 153.7
    n-dodecane 3.53
    diethylene glycol 142.9
    diisopropyl ether 17.08
    tert-amyl alcohol 102.2
    acetylacetone 100.82
    n-hexadecane 3.78
    acetophenone 44.38
    methyl propionate 65.92
    isopentyl acetate 59.98
    trichloroethylene 50.9
    n-nonanol 45.12
    cyclohexanol 65.12
    benzyl alcohol 41.5
    2-ethylhexanol 49.03
    isooctanol 37.19
    dipropyl ether 40.36
    1,2-dichlorobenzene 20.44
    ethyl lactate 42.0
    propylene carbonate 114.03
    n-methylformamide 146.59
    2-pentanol 67.59
    n-pentane 3.45
    1-propoxy-2-propanol 115.49
    1-methoxy-2-propyl acetate 87.09
    2-(2-methoxypropoxy) propanol 106.54
    mesitylene 12.45
    ε-caprolactone 107.79
    p-cymene 15.82
    epichlorohydrin 160.4
    1,1,1-trichloroethane 20.16
    2-aminoethanol 106.88
    morpholine-4-carbaldehyde 244.49
    sulfolane 345.59
    2,2,4-trimethylpentane 4.56
    2-methyltetrahydrofuran 132.25
    n-hexyl acetate 69.68
    isooctane 4.2
    2-(2-butoxyethoxy)ethanol 141.93
    sec-butyl acetate 28.18
    tert-butyl acetate 66.03
    decalin 5.05
    glycerin 125.27
    diglyme 189.73
    acrylic acid 81.09
    isopropyl myristate 33.39
    n-butyric acid 115.41
    acetyl acetate 42.75
    di(2-ethylhexyl) phthalate 42.14
    ethyl propionate 41.08
    nitromethane 171.2
    1,2-diethoxyethane 65.06
    benzonitrile 38.04
    trioctyl phosphate 36.53
    1-bromopropane 14.6
    gamma-valerolactone 224.85
    n-decanol 36.35
    triethyl phosphate 32.91
    4-methyl-2-pentanol 46.85
    propionitrile 31.97
    vinylene carbonate 84.76
    1,1,2-trichlorotrifluoroethane 110.6
    DMS 54.64
    cumene 12.2
    2-octanol 30.66
    2-hexanone 47.06
    octyl acetate 47.39
    limonene 25.68
    1,2-dimethoxyethane 156.52
    ethyl orthosilicate 30.33
    tributyl phosphate 39.47
    diacetone alcohol 121.94
    N,N-dimethylaniline 41.11
    acrylonitrile 44.46
    aniline 28.17
    1,3-propanediol 138.95
    bromobenzene 9.8
    dibromomethane 18.28
    1,1,2,2-tetrachloroethane 42.33
    2-methyl-cyclohexyl acetate 49.05
    tetrabutyl urea 60.2
    diisobutyl methanol 33.34
    2-phenylethanol 51.55
    styrene 9.55
    dioctyl adipate 57.67
    dimethyl sulfate 99.94
    ethyl butyrate 49.97
    methyl lactate 78.43
    butyl lactate 52.3
    diethyl carbonate 36.43
    propanediol butyl ether 107.46
    triethyl orthoformate 39.38
    p-tert-butyltoluene 16.88
    methyl 4-tert-butylbenzoate 73.99
    morpholine 161.22
    tert-butylamine 65.38
    n-dodecanol 28.54
    dimethoxymethane 163.41
    ethylene carbonate 68.38
    cyrene 101.34
    2-ethoxyethyl acetate 59.7
    2-ethylhexyl acetate 43.52
    1,2,4-trichlorobenzene 27.75
    4-methylpyridine 50.42
    dibutyl ether 36.45
    2,6-dimethyl-4-heptanol 33.34
    DEF 123.14
    dimethyl isosorbide 167.07
    tetrachloroethylene 23.77
    eugenol 74.3
    triacetin 67.4
    span 80 104.43
    1,4-butanediol 57.8
    1,1-dichloroethane 20.23
    2-methyl-1-pentanol 63.74
    methyl formate 105.8
    2-methyl-1-butanol 80.27
    n-decane 4.52
    butyronitrile 45.15
    3,7-dimethyl-1-octanol 45.18
    1-chlorooctane 17.49
    1-chlorotetradecane 9.63
    n-nonane 3.95
    undecane 3.98
    tert-butylcyclohexane 5.83
    cyclooctane 1.64
    cyclopentanol 92.71
    tetrahydropyran 80.69
    tert-amyl methyl ether 51.07
    2,5,8-trioxanonane 170.57
    1-hexene 12.95
    2-isopropoxyethanol 71.85
    2,2,2-trifluoroethanol 44.63
    methyl butyrate 57.97

    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