2-Butenal, 2-ethyl-

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  • Identifiers

    CAS number
    19780-25-7

    Molecular formula
    C6H10O

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

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 75.49%
    Pungent 64.5%
    Ethereal 51.58%
    Nutty 43.64%
    Sharp 42.53%
    Green 38.22%
    Herbal 32.7%
    Cheesy 32.61%
    Spicy 32.13%
    Ketonic 31.69%

     

    Flavor
    Green 69.28%
    Fruity 59.13%
    Nutty 54.81%
    Pungent 45.18%
    Sweet 44.49%
    Spicy 41.46%
    Ethereal 39.49%
    Almond 38.23%
    Fatty 37.87%
    Vegetable 35.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.79 (neutral)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    146°C

    Flash point

    • 33.29 ˚C est.

  • Synonyms

    • 2-Ethylcrotonaldehyde
    • 2-Butenal, 2-ethyl-
    • (E)-2-ethylbut-2-enal
    • 19780-25-7
    • 2-Ethyl crotonic aldehyde
    • 2-Ethyl-trans-2-butenal
    • 63883-69-2
    • CROTONALDEHYDE, 2-ETHYL-
    • 2-ethylbut-2-enal
    • (2E)-2-Ethyl-2-butenal
    • BRN 1738001
    • EINECS 243-299-5
    • 2-Ethyl-(E)-2-butenal
    • CH3CH=C(C2H5)CHO
    • trans-2-Ethylcrotonal
    • 3-01-00-03001 (Beilstein Handbook Reference)
    • (E)-2-ethyl-2-butenal
    • DTXSID40885095
    • 2-Butenal,2-ethyl-
    • (2E)-2-ethylbut-2-enal
    • 2-Ethyl-transtrans-2-butenal
    • 2-Ethyl-2-butenal, AldrichCPR
    • IQGZCSXWIRBTRW-ZZXKWVIFSA-
    • CHEBI:141556
    • DTXCID301024498
    • AC9866
    • AKOS005256260
    • InChI=1/C6H10O/c1-3-6(4-2)5-7/h3,5H,4H2,1-2H3/b6-3+
    • 243-299-5

  • Applications

    2-Butenal, 2-ethyl- (CAS 19780-25-7) is primarily used as an organic synthesis intermediate and as a fragrance/aroma precursor. In the fragrance and cosmetic industries, it is evaluated as a potential odorant or as a building block for more complex aroma ingredients. It may also act as a flavor precursor in certain flavor formulations, subject to regulatory controls. In household products and cleaning formulations, it can be employed as a fragrance component to impart specific notes. In industrial manufacturing, it serves as a reactive aldehyde intermediate for further chemical synthesis and for certain polymer-related applications, under appropriate handling and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 569.69
    methanol 683.71
    isopropanol 374.88
    water 2.65
    ethyl acetate 626.72
    n-propanol 491.13
    acetone 628.69
    n-butanol 465.8
    acetonitrile 875.01
    DMF 523.91
    toluene 229.34
    isobutanol 345.94
    1,4-dioxane 1263.26
    methyl acetate 613.7
    THF 1112.87
    2-butanone 589.2
    n-pentanol 354.56
    sec-butanol 347.21
    n-hexane 156.23
    ethylene glycol 96.49
    NMP 858.27
    cyclohexane 221.08
    DMSO 704.54
    n-butyl acetate 683.55
    n-octanol 201.35
    chloroform 1704.32
    n-propyl acetate 466.08
    acetic acid 825.41
    dichloromethane 1596.27
    cyclohexanone 1015.68
    propylene glycol 93.57
    isopropyl acetate 293.14
    DMAc 301.94
    2-ethoxyethanol 375.81
    isopentanol 388.12
    n-heptane 98.66
    ethyl formate 411.88
    1,2-dichloroethane 967.81
    n-hexanol 436.75
    2-methoxyethanol 504.87
    isobutyl acetate 241.69
    tetrachloromethane 495.89
    n-pentyl acetate 341.52
    transcutol 1726.26
    n-heptanol 198.21
    ethylbenzene 166.69
    MIBK 252.83
    2-propoxyethanol 506.98
    tert-butanol 494.64
    MTBE 445.69
    2-butoxyethanol 320.61
    propionic acid 614.72
    o-xylene 151.43
    formic acid 274.45
    diethyl ether 622.0
    m-xylene 146.29
    p-xylene 221.0
    chlorobenzene 587.01
    dimethyl carbonate 109.31
    n-octane 45.31
    formamide 384.02
    cyclopentanone 987.92
    2-pentanone 462.3
    anisole 332.43
    cyclopentyl methyl ether 548.35
    gamma-butyrolactone 1294.69
    1-methoxy-2-propanol 311.63
    pyridine 937.02
    3-pentanone 350.71
    furfural 1005.52
    n-dodecane 27.48
    diethylene glycol 304.36
    diisopropyl ether 166.56
    tert-amyl alcohol 410.23
    acetylacetone 415.53
    n-hexadecane 31.57
    acetophenone 291.04
    methyl propionate 364.43
    isopentyl acetate 504.76
    trichloroethylene 1776.18
    n-nonanol 181.15
    cyclohexanol 473.12
    benzyl alcohol 261.29
    2-ethylhexanol 306.27
    isooctanol 171.43
    dipropyl ether 365.76
    1,2-dichlorobenzene 519.22
    ethyl lactate 139.87
    propylene carbonate 608.11
    n-methylformamide 481.36
    2-pentanol 300.08
    n-pentane 114.73
    1-propoxy-2-propanol 398.75
    1-methoxy-2-propyl acetate 373.14
    2-(2-methoxypropoxy) propanol 310.79
    mesitylene 109.43
    ε-caprolactone 906.41
    p-cymene 130.61
    epichlorohydrin 1177.14
    1,1,1-trichloroethane 1090.84
    2-aminoethanol 216.41
    morpholine-4-carbaldehyde 794.37
    sulfolane 1210.45
    2,2,4-trimethylpentane 56.24
    2-methyltetrahydrofuran 1001.66
    n-hexyl acetate 443.68
    isooctane 47.21
    2-(2-butoxyethoxy)ethanol 449.29
    sec-butyl acetate 264.67
    tert-butyl acetate 324.47
    decalin 86.77
    glycerin 136.16
    diglyme 787.19
    acrylic acid 510.83
    isopropyl myristate 170.94
    n-butyric acid 717.87
    acetyl acetate 352.93
    di(2-ethylhexyl) phthalate 147.71
    ethyl propionate 343.01
    nitromethane 1101.64
    1,2-diethoxyethane 742.03
    benzonitrile 520.92
    trioctyl phosphate 107.92
    1-bromopropane 638.78
    gamma-valerolactone 1130.9
    n-decanol 136.38
    triethyl phosphate 161.23
    4-methyl-2-pentanol 168.04
    propionitrile 618.53
    vinylene carbonate 570.27
    1,1,2-trichlorotrifluoroethane 587.24
    DMS 301.79
    cumene 124.54
    2-octanol 149.5
    2-hexanone 459.15
    octyl acetate 214.91
    limonene 218.1
    1,2-dimethoxyethane 723.88
    ethyl orthosilicate 162.71
    tributyl phosphate 152.24
    diacetone alcohol 306.98
    N,N-dimethylaniline 190.21
    acrylonitrile 755.2
    aniline 373.22
    1,3-propanediol 314.27
    bromobenzene 592.49
    dibromomethane 1122.32
    1,1,2,2-tetrachloroethane 1166.11
    2-methyl-cyclohexyl acetate 294.84
    tetrabutyl urea 177.03
    diisobutyl methanol 164.24
    2-phenylethanol 310.18
    styrene 230.23
    dioctyl adipate 225.47
    dimethyl sulfate 189.24
    ethyl butyrate 435.99
    methyl lactate 137.6
    butyl lactate 222.32
    diethyl carbonate 270.17
    propanediol butyl ether 249.66
    triethyl orthoformate 269.79
    p-tert-butyltoluene 120.44
    methyl 4-tert-butylbenzoate 238.35
    morpholine 1183.22
    tert-butylamine 383.16
    n-dodecanol 104.05
    dimethoxymethane 308.04
    ethylene carbonate 470.99
    cyrene 242.62
    2-ethoxyethyl acetate 422.62
    2-ethylhexyl acetate 414.01
    1,2,4-trichlorobenzene 555.58
    4-methylpyridine 752.61
    dibutyl ether 345.21
    2,6-dimethyl-4-heptanol 164.24
    DEF 469.66
    dimethyl isosorbide 552.66
    tetrachloroethylene 941.89
    eugenol 258.46
    triacetin 315.85
    span 80 302.89
    1,4-butanediol 135.48
    1,1-dichloroethane 1005.31
    2-methyl-1-pentanol 324.69
    methyl formate 338.45
    2-methyl-1-butanol 359.52
    n-decane 48.88
    butyronitrile 629.81
    3,7-dimethyl-1-octanol 220.67
    1-chlorooctane 188.1
    1-chlorotetradecane 70.71
    n-nonane 53.22
    undecane 35.76
    tert-butylcyclohexane 82.98
    cyclooctane 60.37
    cyclopentanol 480.47
    tetrahydropyran 1082.96
    tert-amyl methyl ether 298.93
    2,5,8-trioxanonane 486.27
    1-hexene 350.48
    2-isopropoxyethanol 266.78
    2,2,2-trifluoroethanol 252.24
    methyl butyrate 480.6

    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