2-Ethylbutyraldehyde

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  • Identifiers

    CAS number
    97-96-1

    Molecular formula
    C6H12O

    SMILES
    CCC(CC)C=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 92.86%
    Green 75.1%
    Ethereal 62.73%
    Pungent 59.69%
    Cheesy 54.96%
    Sweet 53.98%
    Cocoa 49.49%
    Fresh 49.43%
    Fatty 49.09%
    Fermented 45.83%

     

    Flavor
    Fruity 79.14%
    Green 78.35%
    Sweet 63.82%
    Ethereal 46.76%
    Nutty 40.68%
    Fatty 39.78%
    Apple 39.7%
    Cocoa 39.35%
    Fresh 36.17%
    Fruit 33.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.6 (neutral)

    Molecular weight
    100.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -89 °C

    Boiling point

    • 116.00 to 117.00 °C. @ 760.00 mm Hg

    Flash point

    • 23.86 ˚C est.
    • 70 °F (NFPA, 2010)

    Solubility expt.

    • miscible with alcohol, ether; soluble in water 1 ml in 50 ml

  • Synonyms

    • 2-Ethylbutanal
    • 2-ETHYLBUTYRALDEHYDE
    • 97-96-1
    • Butanal, 2-ethyl-
    • Diethylacetaldehyde
    • 3-Formylpentane
    • 2-Ethylbutyric aldehyde
    • Butyraldehyde, 2-ethyl-
    • alpha-Ethylbutanal
    • 2-EthYl-Butanal
    • Ethyl butyraldehyde
    • 2-Ethylbutyric aledhyde
    • Diethyl acetaldehyde
    • Aldehyde 2-ethylbutyrique
    • Ethylbutyraldehyde
    • alpha-Ethylbutyraldehyde
    • 2-Ethyl-butyraldehyde
    • FEMA No. 2426
    • NSC 6757
    • 2-ethyl butyraldehyde
    • Aldehyde 2-ethylbutyrique [French]
    • EINECS 202-623-5
    • BRN 1209330
    • DTXSID3049380
    • NSC-6757
    • .alpha.-Ethylbutyraldehyde
    • 676JY5569P
    • (C2H5)2CHCHO
    • CHEMBL273782
    • DTXCID6029339
    • 2-ETHYLBUTYRALDEHYDE [FCC]
    • 2-ETHYLBUTYRALDEHYDE [FHFI]
    • UN1178
    • UNII-676JY5569P
    • MFCD00006985
    • .alpha.-Ethylbutanal
    • racemic 2-ethylbutanal
    • 2-Ethylbutyraldehyde, 8CI
    • SCHEMBL29715
    • 2-Ethylbutyraldehyde [UN1178] [Flammable liquid]
    • 2-Ethylbutyraldehyde, >=92%
    • WLN: VHY2 & 2
    • FEMA 2426
    • NSC6757
    • CHEBI:173345
    • AAA09796
    • STR03920
    • Tox21_202883
    • BDBM50028843
    • AKOS000120285
    • UN 1178
    • CAS-97-96-1
    • (2-chlorophenyl)-(1-piperidyl)methanone
    • NCGC00260429-01
    • DB-080480
    • E0069
    • NS00021412
    • EN300-20417
    • 2-Ethylbutyraldehyde [UN1178] [Flammable liquid]
    • Q27264080
    • F2190-0625
    • 202-623-5

  • Applications

    2-Ethylbutyraldehyde (CAS 97-96-1) is mainly used as an intermediate in the synthesis of fragrance and aroma compounds, serving as a building block in perfumery. It is commonly used as a fragrance precursor in cosmetics and personal care formulations. It may also be employed in household products such as air fresheners and cleaners as an aroma additive. In industrial manufacturing, it functions as a chemical intermediate for the preparation of other organic compounds and may be incorporated into coatings and inks as a scent modifier. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 533.8
    methanol 637.84
    isopropanol 390.84
    water 0.8
    ethyl acetate 493.82
    n-propanol 442.13
    acetone 537.55
    n-butanol 453.74
    acetonitrile 637.01
    DMF 330.46
    toluene 163.52
    isobutanol 318.12
    1,4-dioxane 867.18
    methyl acetate 450.64
    THF 1224.37
    2-butanone 503.73
    n-pentanol 304.46
    sec-butanol 350.18
    n-hexane 182.86
    ethylene glycol 71.46
    NMP 789.87
    cyclohexane 256.53
    DMSO 495.31
    n-butyl acetate 859.98
    n-octanol 199.11
    chloroform 1776.99
    n-propyl acetate 411.1
    acetic acid 736.82
    dichloromethane 1559.73
    cyclohexanone 1023.14
    propylene glycol 94.72
    isopropyl acetate 274.1
    DMAc 206.45
    2-ethoxyethanol 276.98
    isopentanol 385.06
    n-heptane 138.7
    ethyl formate 382.18
    1,2-dichloroethane 843.22
    n-hexanol 498.87
    2-methoxyethanol 394.29
    isobutyl acetate 230.28
    tetrachloromethane 465.81
    n-pentyl acetate 386.38
    transcutol 1282.32
    n-heptanol 204.25
    ethylbenzene 129.62
    MIBK 214.63
    2-propoxyethanol 532.34
    tert-butanol 456.47
    MTBE 335.95
    2-butoxyethanol 315.12
    propionic acid 559.64
    o-xylene 115.75
    formic acid 187.82
    diethyl ether 457.81
    m-xylene 111.54
    p-xylene 180.27
    chlorobenzene 542.5
    dimethyl carbonate 65.66
    n-octane 53.66
    formamide 221.11
    cyclopentanone 1059.61
    2-pentanone 385.94
    anisole 225.85
    cyclopentyl methyl ether 527.39
    gamma-butyrolactone 1313.36
    1-methoxy-2-propanol 268.76
    pyridine 739.57
    3-pentanone 271.62
    furfural 963.42
    n-dodecane 31.78
    diethylene glycol 278.56
    diisopropyl ether 134.68
    tert-amyl alcohol 359.48
    acetylacetone 341.38
    n-hexadecane 36.38
    acetophenone 227.98
    methyl propionate 271.51
    isopentyl acetate 634.58
    trichloroethylene 1686.16
    n-nonanol 176.03
    cyclohexanol 487.91
    benzyl alcohol 195.18
    2-ethylhexanol 373.86
    isooctanol 178.01
    dipropyl ether 401.77
    1,2-dichlorobenzene 525.56
    ethyl lactate 128.62
    propylene carbonate 686.35
    n-methylformamide 338.16
    2-pentanol 292.07
    n-pentane 117.82
    1-propoxy-2-propanol 464.81
    1-methoxy-2-propyl acetate 385.86
    2-(2-methoxypropoxy) propanol 265.51
    mesitylene 84.9
    ε-caprolactone 881.13
    p-cymene 146.12
    epichlorohydrin 1018.56
    1,1,1-trichloroethane 971.05
    2-aminoethanol 166.84
    morpholine-4-carbaldehyde 553.16
    sulfolane 1309.74
    2,2,4-trimethylpentane 54.2
    2-methyltetrahydrofuran 1059.91
    n-hexyl acetate 464.65
    isooctane 43.3
    2-(2-butoxyethoxy)ethanol 384.79
    sec-butyl acetate 238.11
    tert-butyl acetate 282.9
    decalin 90.44
    glycerin 126.33
    diglyme 626.42
    acrylic acid 453.78
    isopropyl myristate 172.45
    n-butyric acid 759.84
    acetyl acetate 298.11
    di(2-ethylhexyl) phthalate 147.43
    ethyl propionate 283.51
    nitromethane 865.29
    1,2-diethoxyethane 574.52
    benzonitrile 488.6
    trioctyl phosphate 117.81
    1-bromopropane 593.65
    gamma-valerolactone 1024.44
    n-decanol 127.69
    triethyl phosphate 167.03
    4-methyl-2-pentanol 153.43
    propionitrile 491.73
    vinylene carbonate 576.54
    1,1,2-trichlorotrifluoroethane 621.43
    DMS 252.52
    cumene 105.57
    2-octanol 153.61
    2-hexanone 404.96
    octyl acetate 210.77
    limonene 247.34
    1,2-dimethoxyethane 522.18
    ethyl orthosilicate 170.86
    tributyl phosphate 172.46
    diacetone alcohol 272.94
    N,N-dimethylaniline 135.27
    acrylonitrile 560.53
    aniline 284.59
    1,3-propanediol 274.75
    bromobenzene 546.03
    dibromomethane 1092.01
    1,1,2,2-tetrachloroethane 1212.4
    2-methyl-cyclohexyl acetate 332.12
    tetrabutyl urea 185.92
    diisobutyl methanol 191.63
    2-phenylethanol 296.39
    styrene 177.0
    dioctyl adipate 228.49
    dimethyl sulfate 125.03
    ethyl butyrate 477.67
    methyl lactate 111.95
    butyl lactate 269.73
    diethyl carbonate 276.23
    propanediol butyl ether 252.0
    triethyl orthoformate 298.39
    p-tert-butyltoluene 133.2
    methyl 4-tert-butylbenzoate 212.61
    morpholine 873.24
    tert-butylamine 351.56
    n-dodecanol 98.93
    dimethoxymethane 185.65
    ethylene carbonate 496.3
    cyrene 204.63
    2-ethoxyethyl acetate 383.79
    2-ethylhexyl acetate 507.64
    1,2,4-trichlorobenzene 561.78
    4-methylpyridine 583.85
    dibutyl ether 346.07
    2,6-dimethyl-4-heptanol 191.63
    DEF 355.93
    dimethyl isosorbide 520.95
    tetrachloroethylene 997.46
    eugenol 233.61
    triacetin 307.73
    span 80 302.35
    1,4-butanediol 112.53
    1,1-dichloroethane 864.44
    2-methyl-1-pentanol 273.87
    methyl formate 250.51
    2-methyl-1-butanol 326.64
    n-decane 58.5
    butyronitrile 580.94
    3,7-dimethyl-1-octanol 228.19
    1-chlorooctane 200.08
    1-chlorotetradecane 76.7
    n-nonane 63.76
    undecane 41.17
    tert-butylcyclohexane 88.65
    cyclooctane 65.4
    cyclopentanol 537.08
    tetrahydropyran 989.6
    tert-amyl methyl ether 235.01
    2,5,8-trioxanonane 384.5
    1-hexene 387.06
    2-isopropoxyethanol 203.02
    2,2,2-trifluoroethanol 221.88
    methyl butyrate 433.21

    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