4-Hexenoic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    35194-36-6

    Molecular formula
    C6H10O2

    SMILES
    CC=CCCC(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fruity 84.22%
    Green 77.23%
    Cheesy 63.21%
    Fatty 53.17%
    Dairy 46.68%
    Waxy 43.35%
    Sour 40.15%
    Sweaty 34.9%
    Tropical 32.69%
    Melon 31.24%

     

    Flavor
    Fatty 30.04%
    Sour 29.09%
    Cheese 26.04%
    Oily 25.29%
    Acidic 25.03%
    Sweat 24.96%
    Rancid 23.87%
    Pungent 23.21%
    Green 22.84%
    Cheesy 20.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.95 (neutral)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    210°C

    Flash point

    • 103.18 ˚C est.

  • Synonyms

    • 35194-36-6
    • DTXSID201316878
    • RefChem:1070712
    • DTXCID501333132
    • 4-Hexenoic acid
    • SCHEMBL241574
    • 4-Hexenoic acid, cis + trans
    • SCHEMBL3104637
    • SCHEMBL9113598
    • NS00054234
    • G74667
    • F552744
    • Q27117511
    • 35194-36-6

  • Applications

    4-Hexenoic acid (CAS 35194-36-6) is primarily used as an organic synthesis intermediate. It serves as a reactive building block for the preparation of esters, amides, and other derivatives, and can act as a monomer or comonomer in radical polymerizations to produce specialty polymers and unsaturated polyesters with pendant alkenyl functionality. Through esterification, it can be converted into aroma- or flavor-related esters for fragrance and flavor applications, while its alkenyl group also enables inclusion in coatings, inks, and adhesives as a reactive monomer for crosslinking. In pharmaceutical and related fine-chemical manufacturing, it is considered a precursor for further transformations in R&D settings. Overall, its use is driven by the need for functionalized alkenyl monomers in polymer and specialty chemical syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 285.26
    methanol 341.48
    isopropanol 178.6
    water 13.8
    ethyl acetate 98.66
    n-propanol 175.93
    acetone 220.72
    n-butanol 204.96
    acetonitrile 60.24
    DMF 639.6
    toluene 10.6
    isobutanol 131.2
    1,4-dioxane 292.85
    methyl acetate 81.73
    THF 432.94
    2-butanone 100.2
    n-pentanol 124.25
    sec-butanol 133.77
    n-hexane 9.65
    ethylene glycol 151.16
    NMP 476.05
    cyclohexane 8.79
    DMSO 543.64
    n-butyl acetate 97.81
    n-octanol 92.82
    chloroform 51.12
    n-propyl acetate 60.47
    acetic acid 310.23
    dichloromethane 77.42
    cyclohexanone 191.4
    propylene glycol 166.65
    isopropyl acetate 78.26
    DMAc 333.12
    2-ethoxyethanol 190.78
    isopentanol 169.56
    n-heptane 10.75
    ethyl formate 101.36
    1,2-dichloroethane 59.53
    n-hexanol 141.93
    2-methoxyethanol 396.81
    isobutyl acetate 43.86
    tetrachloromethane 11.87
    n-pentyl acetate 71.04
    transcutol 582.74
    n-heptanol 78.42
    ethylbenzene 14.18
    MIBK 86.63
    2-propoxyethanol 241.64
    tert-butanol 255.13
    MTBE 95.5
    2-butoxyethanol 149.58
    propionic acid 173.02
    o-xylene 19.0
    formic acid 160.4
    diethyl ether 70.14
    m-xylene 20.34
    p-xylene 18.99
    chlorobenzene 25.3
    dimethyl carbonate 57.7
    n-octane 4.92
    formamide 193.65
    cyclopentanone 277.44
    2-pentanone 118.13
    anisole 59.86
    cyclopentyl methyl ether 138.13
    gamma-butyrolactone 342.65
    1-methoxy-2-propanol 319.54
    pyridine 76.92
    3-pentanone 61.86
    furfural 235.75
    n-dodecane 5.87
    diethylene glycol 227.29
    diisopropyl ether 29.2
    tert-amyl alcohol 174.02
    acetylacetone 154.41
    n-hexadecane 6.25
    acetophenone 62.13
    methyl propionate 93.09
    isopentyl acetate 93.07
    trichloroethylene 92.63
    n-nonanol 79.34
    cyclohexanol 134.97
    benzyl alcohol 64.82
    2-ethylhexanol 79.45
    isooctanol 60.72
    dipropyl ether 64.33
    1,2-dichlorobenzene 34.92
    ethyl lactate 62.3
    propylene carbonate 181.93
    n-methylformamide 230.62
    2-pentanol 116.74
    n-pentane 8.14
    1-propoxy-2-propanol 179.01
    1-methoxy-2-propyl acetate 119.85
    2-(2-methoxypropoxy) propanol 162.42
    mesitylene 19.45
    ε-caprolactone 183.0
    p-cymene 22.45
    epichlorohydrin 232.85
    1,1,1-trichloroethane 38.45
    2-aminoethanol 225.72
    morpholine-4-carbaldehyde 395.43
    sulfolane 470.28
    2,2,4-trimethylpentane 8.42
    2-methyltetrahydrofuran 233.08
    n-hexyl acetate 123.31
    isooctane 7.34
    2-(2-butoxyethoxy)ethanol 237.5
    sec-butyl acetate 44.97
    tert-butyl acetate 102.31
    decalin 9.4
    glycerin 234.84
    diglyme 312.54
    acrylic acid 151.52
    isopropyl myristate 53.52
    n-butyric acid 231.76
    acetyl acetate 74.73
    di(2-ethylhexyl) phthalate 62.51
    ethyl propionate 62.43
    nitromethane 311.18
    1,2-diethoxyethane 115.11
    benzonitrile 61.28
    trioctyl phosphate 54.23
    1-bromopropane 28.49
    gamma-valerolactone 367.41
    n-decanol 61.74
    triethyl phosphate 46.89
    4-methyl-2-pentanol 78.14
    propionitrile 61.28
    vinylene carbonate 137.3
    1,1,2-trichlorotrifluoroethane 175.48
    DMS 78.87
    cumene 17.92
    2-octanol 53.43
    2-hexanone 73.5
    octyl acetate 73.11
    limonene 37.51
    1,2-dimethoxyethane 259.45
    ethyl orthosilicate 44.66
    tributyl phosphate 61.22
    diacetone alcohol 184.32
    N,N-dimethylaniline 57.68
    acrylonitrile 77.08
    aniline 48.11
    1,3-propanediol 282.99
    bromobenzene 18.04
    dibromomethane 41.46
    1,1,2,2-tetrachloroethane 81.44
    2-methyl-cyclohexyl acetate 74.01
    tetrabutyl urea 86.32
    diisobutyl methanol 52.83
    2-phenylethanol 75.8
    styrene 15.25
    dioctyl adipate 84.52
    dimethyl sulfate 115.72
    ethyl butyrate 73.89
    methyl lactate 108.82
    butyl lactate 84.38
    diethyl carbonate 52.35
    propanediol butyl ether 184.72
    triethyl orthoformate 60.57
    p-tert-butyltoluene 23.95
    methyl 4-tert-butylbenzoate 111.8
    morpholine 327.61
    tert-butylamine 134.73
    n-dodecanol 47.53
    dimethoxymethane 220.44
    ethylene carbonate 120.18
    cyrene 135.47
    2-ethoxyethyl acetate 97.94
    2-ethylhexyl acetate 67.9
    1,2,4-trichlorobenzene 45.38
    4-methylpyridine 79.26
    dibutyl ether 66.66
    2,6-dimethyl-4-heptanol 52.83
    DEF 186.04
    dimethyl isosorbide 238.84
    tetrachloroethylene 50.71
    eugenol 108.9
    triacetin 112.01
    span 80 166.49
    1,4-butanediol 112.81
    1,1-dichloroethane 41.47
    2-methyl-1-pentanol 107.68
    methyl formate 155.44
    2-methyl-1-butanol 141.53
    n-decane 8.27
    butyronitrile 86.6
    3,7-dimethyl-1-octanol 78.23
    1-chlorooctane 29.8
    1-chlorotetradecane 15.62
    n-nonane 7.49
    undecane 6.88
    tert-butylcyclohexane 10.26
    cyclooctane 4.14
    cyclopentanol 192.61
    tetrahydropyran 174.94
    tert-amyl methyl ether 78.51
    2,5,8-trioxanonane 266.29
    1-hexene 28.06
    2-isopropoxyethanol 125.97
    2,2,2-trifluoroethanol 99.52
    methyl butyrate 90.93

    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