2-Ethyl-3-methylbutanal

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  • Identifiers

    CAS number
    26254-92-2

    Molecular formula
    C7H14O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 83.27%
    Green 79.33%
    Ethereal 56.62%
    Pungent 49.22%
    Fresh 46.1%
    Cocoa 45.23%
    Cheesy 42.0%
    Sweet 40.79%
    Herbal 38.17%
    Fermented 37.68%

     

    Flavor
    Green 62.96%
    Fruity 49.53%
    Fresh 34.03%
    Ethereal 32.51%
    Sweet 31.15%
    Aldehydic 27.66%
    Tropical 27.46%
    Citrus 27.38%
    Fatty 26.01%
    Waxy 25.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.54 (neutral)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    132°C

    Flash point

    • 34.34 ˚C est.

  • Synonyms

    • 2-Ethyl-3-methylbutanal
    • 2-Ethyl-3-methylbutyraldehyde
    • 2-Ethylisovaleraldehyde
    • (CH3)2CHCH(C2H5)CHO
    • EINECS 247-551-5
    • AI3-28957
    • DTXSID40949121
    • RefChem:86890
    • DTXCID401377323
    • 247-551-5
    • SHGPBDQRELYPLO-UHFFFAOYSA-N
    • 26254-92-2
    • Butanal, 2-ethyl-3-methyl-
    • MFCD00024161
    • SCHEMBL270567
    • SCHEMBL270568
    • SCHEMBL21708244
    • AKOS006228562
    • DB-067591
    • NS00050206
    • EN300-2971164
    • 254E922
    • 26254-92-2

  • Applications

    2-Ethyl-3-methylbutanal (CAS 26254-92-2) is an aldehyde used primarily as an odorant and fragrance-building block in perfumery, and as a building block for the synthesis of a range of aroma compounds. It also serves as a flavor precursor or additive in food-flavor formulations where small aldehydic notes are desirable, and is used in cosmetics and personal care as a fragrance component or fixative. In household cleaning products, it contributes to the scent profiles of cleaners and detergents. In industrial manufacturing, it is commonly used as an intermediate for the preparation of downstream aroma chemicals and specialty intermediates for fragrance/flavor applications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 967.55
    methanol 1173.74
    isopropanol 739.59
    water 1.37
    ethyl acetate 690.47
    n-propanol 782.36
    acetone 746.14
    n-butanol 759.88
    acetonitrile 917.97
    DMF 362.29
    toluene 219.63
    isobutanol 588.6
    1,4-dioxane 1510.7
    methyl acetate 623.77
    THF 1853.08
    2-butanone 692.14
    n-pentanol 458.85
    sec-butanol 630.49
    n-hexane 273.65
    ethylene glycol 117.69
    NMP 864.61
    cyclohexane 364.36
    DMSO 557.59
    n-butyl acetate 1101.99
    n-octanol 280.62
    chloroform 1995.46
    n-propyl acetate 511.91
    acetic acid 1008.33
    dichloromethane 1607.93
    cyclohexanone 1333.12
    propylene glycol 155.56
    isopropyl acetate 404.0
    DMAc 232.86
    2-ethoxyethanol 419.47
    isopentanol 625.32
    n-heptane 210.37
    ethyl formate 468.3
    1,2-dichloroethane 935.65
    n-hexanol 912.7
    2-methoxyethanol 652.06
    isobutyl acetate 309.18
    tetrachloromethane 558.06
    n-pentyl acetate 427.44
    transcutol 1619.32
    n-heptanol 313.15
    ethylbenzene 162.19
    MIBK 318.23
    2-propoxyethanol 888.9
    tert-butanol 804.61
    MTBE 641.78
    2-butoxyethanol 418.58
    propionic acid 742.16
    o-xylene 162.12
    formic acid 272.76
    diethyl ether 799.77
    m-xylene 170.4
    p-xylene 226.8
    chlorobenzene 579.33
    dimethyl carbonate 85.28
    n-octane 66.37
    formamide 281.43
    cyclopentanone 1308.22
    2-pentanone 560.96
    anisole 281.5
    cyclopentyl methyl ether 825.85
    gamma-butyrolactone 1546.63
    1-methoxy-2-propanol 407.45
    pyridine 822.94
    3-pentanone 371.01
    furfural 971.38
    n-dodecane 39.39
    diethylene glycol 475.28
    diisopropyl ether 233.28
    tert-amyl alcohol 627.25
    acetylacetone 431.52
    n-hexadecane 44.52
    acetophenone 249.56
    methyl propionate 366.73
    isopentyl acetate 846.33
    trichloroethylene 1710.93
    n-nonanol 238.54
    cyclohexanol 817.35
    benzyl alcohol 231.62
    2-ethylhexanol 580.01
    isooctanol 259.36
    dipropyl ether 589.03
    1,2-dichlorobenzene 533.31
    ethyl lactate 151.63
    propylene carbonate 760.72
    n-methylformamide 404.51
    2-pentanol 505.71
    n-pentane 183.91
    1-propoxy-2-propanol 721.47
    1-methoxy-2-propyl acetate 559.96
    2-(2-methoxypropoxy) propanol 335.1
    mesitylene 129.02
    ε-caprolactone 1076.93
    p-cymene 186.45
    epichlorohydrin 1294.1
    1,1,1-trichloroethane 1204.75
    2-aminoethanol 279.14
    morpholine-4-carbaldehyde 670.44
    sulfolane 1408.33
    2,2,4-trimethylpentane 84.7
    2-methyltetrahydrofuran 1628.13
    n-hexyl acetate 563.42
    isooctane 76.09
    2-(2-butoxyethoxy)ethanol 497.45
    sec-butyl acetate 322.35
    tert-butyl acetate 443.91
    decalin 132.4
    glycerin 190.33
    diglyme 791.35
    acrylic acid 539.03
    isopropyl myristate 203.83
    n-butyric acid 1020.04
    acetyl acetate 375.36
    di(2-ethylhexyl) phthalate 171.33
    ethyl propionate 357.98
    nitromethane 997.65
    1,2-diethoxyethane 709.34
    benzonitrile 491.69
    trioctyl phosphate 139.74
    1-bromopropane 698.39
    gamma-valerolactone 1288.22
    n-decanol 173.02
    triethyl phosphate 185.24
    4-methyl-2-pentanol 259.54
    propionitrile 706.22
    vinylene carbonate 621.76
    1,1,2-trichlorotrifluoroethane 709.04
    DMS 288.36
    cumene 131.65
    2-octanol 221.54
    2-hexanone 522.41
    octyl acetate 247.84
    limonene 339.8
    1,2-dimethoxyethane 713.02
    ethyl orthosilicate 200.44
    tributyl phosphate 189.42
    diacetone alcohol 415.77
    N,N-dimethylaniline 154.76
    acrylonitrile 669.05
    aniline 367.21
    1,3-propanediol 468.62
    bromobenzene 566.43
    dibromomethane 1177.17
    1,1,2,2-tetrachloroethane 1298.93
    2-methyl-cyclohexyl acetate 421.48
    tetrabutyl urea 203.36
    diisobutyl methanol 291.07
    2-phenylethanol 404.12
    styrene 192.14
    dioctyl adipate 250.88
    dimethyl sulfate 141.04
    ethyl butyrate 562.64
    methyl lactate 143.21
    butyl lactate 307.59
    diethyl carbonate 310.58
    propanediol butyl ether 329.19
    triethyl orthoformate 361.3
    p-tert-butyltoluene 178.54
    methyl 4-tert-butylbenzoate 250.54
    morpholine 1492.91
    tert-butylamine 620.29
    n-dodecanol 130.6
    dimethoxymethane 271.02
    ethylene carbonate 562.52
    cyrene 245.71
    2-ethoxyethyl acetate 448.81
    2-ethylhexyl acetate 648.01
    1,2,4-trichlorobenzene 588.63
    4-methylpyridine 673.03
    dibutyl ether 424.75
    2,6-dimethyl-4-heptanol 291.07
    DEF 445.07
    dimethyl isosorbide 635.3
    tetrachloroethylene 1061.94
    eugenol 259.55
    triacetin 329.68
    span 80 365.38
    1,4-butanediol 171.07
    1,1-dichloroethane 1078.88
    2-methyl-1-pentanol 415.02
    methyl formate 306.98
    2-methyl-1-butanol 561.61
    n-decane 71.29
    butyronitrile 807.57
    3,7-dimethyl-1-octanol 305.78
    1-chlorooctane 251.21
    1-chlorotetradecane 93.6
    n-nonane 78.9
    undecane 51.03
    tert-butylcyclohexane 133.26
    cyclooctane 98.93
    cyclopentanol 852.04
    tetrahydropyran 1637.56
    tert-amyl methyl ether 408.82
    2,5,8-trioxanonane 467.11
    1-hexene 567.85
    2-isopropoxyethanol 305.57
    2,2,2-trifluoroethanol 270.88
    methyl butyrate 502.33

    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