2-Ethyl-2-butenoic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4411-99-8

    Molecular formula
    C6H10O2

    SMILES
    CCC(=CC)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 85.82%
    Caramellic 57.83%
    Sweet 52.47%
    Pungent 39.67%
    Herbal 39.02%
    Apple 35.88%
    Spicy 34.72%
    Cheesy 34.67%
    Dry 33.42%
    Chamomile 33.39%

     

    Flavor
    Sweet 51.66%
    Caramel 41.29%
    Fruity 32.37%
    Dry 31.6%
    Spicy 29.78%
    Nutty 28.3%
    Woody 27.98%
    Phenolic 25.07%
    Butter 23.49%
    Filbert 22.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.11 (weak base)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    203°C

    Flash point

    • 89.03 ˚C est.

  • Synonyms

    • 4411-99-8
    • 2-Ethyl-2-butenoic acid
    • DTXSID101313926
    • RefChem:1063021
    • DTXCID501743727
    • 224-568-6
    • 2-ethylbut-2-enoic acid
    • CID 107546
    • 34452-15-8
    • (2Z)-2-ethylbut-2-enoic acid
    • MFCD28012323
    • Methylathylakrylsaure
    • SCHEMBL212348
    • SCHEMBL3600651
    • SCHEMBL8626055
    • CHEBI:137453
    • KFSQJVOLYQRELE-UHFFFAOYSA-N
    • AKOS026740946
    • NS00048691
    • G70353
    • 4411-99-8

  • Applications

    2-Ethyl-2-butenoic acid (CAS 4411-99-8) is a branched, alkenoic acid often used as an organic synthesis intermediate and building block in chemical manufacturing. Typical applications include use as a precursor or building block for fragrance and flavor compounds; employed as a raw material in cosmetics and personal care formulations where it contributes to scent-related components; serves as a building block for specialty polymers or as a comonomer in resins and elastomers; used in coatings and inks as a reactive monomer or crosslinkable component; and used in the adhesives sector as a chemical intermediate for functional linkages in formulated products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 857.81
    methanol 1377.17
    isopropanol 577.96
    water 9.34
    ethyl acetate 403.42
    n-propanol 630.55
    acetone 470.74
    n-butanol 535.38
    acetonitrile 487.74
    DMF 1012.44
    toluene 73.22
    isobutanol 420.14
    1,4-dioxane 1204.34
    methyl acetate 411.52
    THF 1184.48
    2-butanone 422.86
    n-pentanol 486.69
    sec-butanol 463.87
    n-hexane 74.73
    ethylene glycol 213.16
    NMP 1107.45
    cyclohexane 46.02
    DMSO 1434.17
    n-butyl acetate 310.16
    n-octanol 190.65
    chloroform 409.18
    n-propyl acetate 236.64
    acetic acid 642.98
    dichloromethane 464.72
    cyclohexanone 635.46
    propylene glycol 202.41
    isopropyl acetate 214.67
    DMAc 359.02
    2-ethoxyethanol 605.99
    isopentanol 400.63
    n-heptane 30.75
    ethyl formate 283.78
    1,2-dichloroethane 443.24
    n-hexanol 423.6
    2-methoxyethanol 860.7
    isobutyl acetate 113.91
    tetrachloromethane 93.35
    n-pentyl acetate 239.28
    transcutol 1101.89
    n-heptanol 202.34
    ethylbenzene 63.66
    MIBK 236.1
    2-propoxyethanol 593.11
    tert-butanol 725.3
    MTBE 423.4
    2-butoxyethanol 337.51
    propionic acid 526.88
    o-xylene 68.77
    formic acid 446.16
    diethyl ether 519.77
    m-xylene 80.5
    p-xylene 75.89
    chlorobenzene 184.97
    dimethyl carbonate 113.5
    n-octane 17.21
    formamide 638.09
    cyclopentanone 805.73
    2-pentanone 389.38
    anisole 191.19
    cyclopentyl methyl ether 497.16
    gamma-butyrolactone 1088.43
    1-methoxy-2-propanol 592.7
    pyridine 389.96
    3-pentanone 245.73
    furfural 665.64
    n-dodecane 13.07
    diethylene glycol 418.63
    diisopropyl ether 132.23
    tert-amyl alcohol 503.1
    acetylacetone 324.34
    n-hexadecane 14.96
    acetophenone 160.49
    methyl propionate 343.52
    isopentyl acetate 238.58
    trichloroethylene 599.18
    n-nonanol 162.93
    cyclohexanol 385.09
    benzyl alcohol 183.97
    2-ethylhexanol 176.38
    isooctanol 150.59
    dipropyl ether 193.18
    1,2-dichlorobenzene 174.22
    ethyl lactate 114.59
    propylene carbonate 410.68
    n-methylformamide 717.07
    2-pentanol 372.37
    n-pentane 55.84
    1-propoxy-2-propanol 373.51
    1-methoxy-2-propyl acetate 267.88
    2-(2-methoxypropoxy) propanol 238.98
    mesitylene 61.5
    ε-caprolactone 632.6
    p-cymene 49.95
    epichlorohydrin 934.25
    1,1,1-trichloroethane 288.24
    2-aminoethanol 440.99
    morpholine-4-carbaldehyde 893.23
    sulfolane 1376.28
    2,2,4-trimethylpentane 28.54
    2-methyltetrahydrofuran 904.8
    n-hexyl acetate 332.03
    isooctane 27.29
    2-(2-butoxyethoxy)ethanol 406.54
    sec-butyl acetate 137.93
    tert-butyl acetate 273.76
    decalin 30.94
    glycerin 264.45
    diglyme 597.88
    acrylic acid 414.32
    isopropyl myristate 104.97
    n-butyric acid 529.64
    acetyl acetate 159.49
    di(2-ethylhexyl) phthalate 101.05
    ethyl propionate 194.42
    nitromethane 922.55
    1,2-diethoxyethane 392.7
    benzonitrile 232.5
    trioctyl phosphate 86.77
    1-bromopropane 249.37
    gamma-valerolactone 1081.46
    n-decanol 121.2
    triethyl phosphate 74.83
    4-methyl-2-pentanol 185.95
    propionitrile 369.24
    vinylene carbonate 340.91
    1,1,2-trichlorotrifluoroethane 433.61
    DMS 185.57
    cumene 58.34
    2-octanol 152.2
    2-hexanone 278.02
    octyl acetate 150.03
    limonene 84.05
    1,2-dimethoxyethane 700.15
    ethyl orthosilicate 77.55
    tributyl phosphate 100.83
    diacetone alcohol 373.91
    N,N-dimethylaniline 125.96
    acrylonitrile 434.45
    aniline 195.39
    1,3-propanediol 553.82
    bromobenzene 152.08
    dibromomethane 322.26
    1,1,2,2-tetrachloroethane 471.98
    2-methyl-cyclohexyl acetate 140.13
    tetrabutyl urea 130.26
    diisobutyl methanol 98.97
    2-phenylethanol 209.48
    styrene 80.9
    dioctyl adipate 134.98
    dimethyl sulfate 231.29
    ethyl butyrate 163.7
    methyl lactate 171.32
    butyl lactate 172.25
    diethyl carbonate 95.33
    propanediol butyl ether 281.9
    triethyl orthoformate 115.53
    p-tert-butyltoluene 51.43
    methyl 4-tert-butylbenzoate 182.88
    morpholine 1326.55
    tert-butylamine 412.15
    n-dodecanol 87.8
    dimethoxymethane 520.22
    ethylene carbonate 302.46
    cyrene 215.7
    2-ethoxyethyl acetate 316.97
    2-ethylhexyl acetate 176.7
    1,2,4-trichlorobenzene 209.68
    4-methylpyridine 370.63
    dibutyl ether 173.97
    2,6-dimethyl-4-heptanol 98.97
    DEF 455.74
    dimethyl isosorbide 405.93
    tetrachloroethylene 331.08
    eugenol 199.32
    triacetin 183.86
    span 80 241.13
    1,4-butanediol 261.39
    1,1-dichloroethane 349.74
    2-methyl-1-pentanol 344.13
    methyl formate 446.93
    2-methyl-1-butanol 378.67
    n-decane 22.02
    butyronitrile 357.88
    3,7-dimethyl-1-octanol 150.3
    1-chlorooctane 97.89
    1-chlorotetradecane 38.88
    n-nonane 21.84
    undecane 16.65
    tert-butylcyclohexane 35.07
    cyclooctane 16.69
    cyclopentanol 530.49
    tetrahydropyran 869.81
    tert-amyl methyl ether 274.26
    2,5,8-trioxanonane 413.09
    1-hexene 201.59
    2-isopropoxyethanol 344.36
    2,2,2-trifluoroethanol 220.9
    methyl butyrate 266.14

    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