2-Ethyl-2-hexenoic acid

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  • Identifiers

    CAS number
    5309-52-4

    Molecular formula
    C10H18O2

    SMILES
    CCCCCC=C(CC)C(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fruity 80.38%
    Green 60.4%
    Fatty 57.99%
    Waxy 51.23%
    Herbal 48.15%
    Oily 46.48%
    Dairy 35.78%
    Mushroom 32.95%
    Floral 32.81%
    Earthy 32.13%

     

    Flavor
    Fruity 55.19%
    Herbal 44.7%
    Green 36.32%
    Oily 33.58%
    Waxy 32.09%
    Fatty 30.49%
    Sweet 28.83%
    Spicy 25.25%
    Woody 23.75%
    Mushroom 22.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.47 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    256°C

    Flash point

    • 123.79 ˚C est.

  • Synonyms

    • DTXSID601031537
    • RefChem:471761
    • DTXCID801765817
    • 226-167-1
    • 2-Ethyl-2-hexenoic acid
    • 2-ethylhexenoic acid
    • 2-Hexenoic acid, 2-ethyl-
    • 5309-52-4
    • SCHEMBL1771520
    • 5309-52-4

  • Applications

    2-Ethyl-2-hexenoic acid (CAS 5309-52-4) is regarded as a synthetic intermediate and building block for organic synthesis, with practical applications across several industries: as a potential monomer or co-monomer for the production of specialty polymers and plastics; as a reactive intermediate in coatings and inks (resin systems) for film-forming applications; as a precursor to ester derivatives used in fragrance and flavor ingredients; evaluated as a synthetic starting point in pharmaceutical research for the development of new compounds; and as a precursor for cosmetic or personal-care ingredients through esterification. Its use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9224.88
    methanol 12478.78
    isopropanol 7494.24
    water 0.47
    ethyl acetate 4864.97
    n-propanol 7471.0
    acetone 8805.63
    n-butanol 5535.86
    acetonitrile 3828.7
    DMF 11886.7
    toluene 1000.0
    isobutanol 5413.08
    1,4-dioxane 5191.84
    methyl acetate 3089.31
    THF 7327.97
    2-butanone 5453.12
    n-pentanol 3775.53
    sec-butanol 5513.82
    n-hexane 852.96
    ethylene glycol 855.11
    NMP 6368.21
    cyclohexane 574.93
    DMSO 10101.62
    n-butyl acetate 3384.31
    n-octanol 836.81
    chloroform 3093.33
    n-propyl acetate 2480.98
    acetic acid 3287.35
    dichloromethane 3395.65
    cyclohexanone 5951.0
    propylene glycol 1485.24
    isopropyl acetate 2854.45
    DMAc 3818.4
    2-ethoxyethanol 3136.11
    isopentanol 4415.16
    n-heptane 153.78
    ethyl formate 2035.73
    1,2-dichloroethane 4038.46
    n-hexanol 3670.59
    2-methoxyethanol 6409.54
    isobutyl acetate 1399.33
    tetrachloromethane 547.04
    n-pentyl acetate 1497.85
    transcutol 7153.37
    n-heptanol 1053.02
    ethylbenzene 576.05
    MIBK 2524.19
    2-propoxyethanol 4223.88
    tert-butanol 8149.55
    MTBE 6785.9
    2-butoxyethanol 1749.43
    propionic acid 3036.62
    o-xylene 611.83
    formic acid 1001.09
    diethyl ether 5552.64
    m-xylene 826.65
    p-xylene 664.87
    chlorobenzene 1462.98
    dimethyl carbonate 774.01
    n-octane 69.12
    formamide 2092.48
    cyclopentanone 6479.93
    2-pentanone 5049.97
    anisole 1210.49
    cyclopentyl methyl ether 4770.14
    gamma-butyrolactone 5948.23
    1-methoxy-2-propanol 5089.85
    pyridine 3170.68
    3-pentanone 2939.49
    furfural 2736.75
    n-dodecane 43.95
    diethylene glycol 1972.71
    diisopropyl ether 1492.82
    tert-amyl alcohol 5887.95
    acetylacetone 3199.71
    n-hexadecane 51.99
    acetophenone 988.17
    methyl propionate 3511.34
    isopentyl acetate 2652.15
    trichloroethylene 5046.92
    n-nonanol 689.7
    cyclohexanol 3852.52
    benzyl alcohol 1109.61
    2-ethylhexanol 1562.09
    isooctanol 854.2
    dipropyl ether 1695.38
    1,2-dichlorobenzene 1147.78
    ethyl lactate 628.38
    propylene carbonate 2348.94
    n-methylformamide 5481.99
    2-pentanol 3932.16
    n-pentane 499.53
    1-propoxy-2-propanol 2991.16
    1-methoxy-2-propyl acetate 2271.22
    2-(2-methoxypropoxy) propanol 986.43
    mesitylene 522.97
    ε-caprolactone 4338.94
    p-cymene 286.06
    epichlorohydrin 5938.57
    1,1,1-trichloroethane 2622.55
    2-aminoethanol 2781.87
    morpholine-4-carbaldehyde 4223.87
    sulfolane 6268.3
    2,2,4-trimethylpentane 212.88
    2-methyltetrahydrofuran 7016.39
    n-hexyl acetate 1758.87
    isooctane 209.82
    2-(2-butoxyethoxy)ethanol 1871.94
    sec-butyl acetate 1594.0
    tert-butyl acetate 2797.16
    decalin 239.75
    glycerin 1296.49
    diglyme 2999.37
    acrylic acid 1899.56
    isopropyl myristate 470.46
    n-butyric acid 4697.29
    acetyl acetate 1336.94
    di(2-ethylhexyl) phthalate 390.07
    ethyl propionate 1885.83
    nitromethane 4897.9
    1,2-diethoxyethane 3076.24
    benzonitrile 1396.95
    trioctyl phosphate 342.8
    1-bromopropane 2551.31
    gamma-valerolactone 6258.31
    n-decanol 489.97
    triethyl phosphate 352.87
    4-methyl-2-pentanol 1656.28
    propionitrile 3458.35
    vinylene carbonate 1706.75
    1,1,2-trichlorotrifluoroethane 2714.11
    DMS 895.64
    cumene 374.79
    2-octanol 739.17
    2-hexanone 3064.7
    octyl acetate 631.25
    limonene 592.22
    1,2-dimethoxyethane 4760.71
    ethyl orthosilicate 401.49
    tributyl phosphate 455.04
    diacetone alcohol 2833.14
    N,N-dimethylaniline 775.58
    acrylonitrile 3263.37
    aniline 1752.67
    1,3-propanediol 3583.91
    bromobenzene 1404.6
    dibromomethane 2510.68
    1,1,2,2-tetrachloroethane 4445.86
    2-methyl-cyclohexyl acetate 833.22
    tetrabutyl urea 597.51
    diisobutyl methanol 696.88
    2-phenylethanol 1149.08
    styrene 780.25
    dioctyl adipate 579.15
    dimethyl sulfate 1187.09
    ethyl butyrate 1412.02
    methyl lactate 1069.29
    butyl lactate 1020.14
    diethyl carbonate 617.16
    propanediol butyl ether 1547.64
    triethyl orthoformate 762.94
    p-tert-butyltoluene 304.62
    methyl 4-tert-butylbenzoate 739.32
    morpholine 8309.77
    tert-butylamine 5357.65
    n-dodecanol 342.98
    dimethoxymethane 4471.89
    ethylene carbonate 1632.73
    cyrene 820.08
    2-ethoxyethyl acetate 1696.71
    2-ethylhexyl acetate 1801.37
    1,2,4-trichlorobenzene 1196.34
    4-methylpyridine 3760.82
    dibutyl ether 1223.28
    2,6-dimethyl-4-heptanol 696.88
    DEF 5828.79
    dimethyl isosorbide 1701.01
    tetrachloroethylene 2624.32
    eugenol 782.15
    triacetin 832.64
    span 80 1051.49
    1,4-butanediol 1271.83
    1,1-dichloroethane 3987.64
    2-methyl-1-pentanol 2934.37
    methyl formate 2386.47
    2-methyl-1-butanol 4289.45
    n-decane 82.73
    butyronitrile 4076.6
    3,7-dimethyl-1-octanol 906.24
    1-chlorooctane 479.95
    1-chlorotetradecane 153.27
    n-nonane 85.22
    undecane 58.46
    tert-butylcyclohexane 267.64
    cyclooctane 135.75
    cyclopentanol 4072.98
    tetrahydropyran 6901.05
    tert-amyl methyl ether 3519.48
    2,5,8-trioxanonane 1602.87
    1-hexene 2707.91
    2-isopropoxyethanol 2204.85
    2,2,2-trifluoroethanol 658.98
    methyl butyrate 2730.12

    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