2-Ethyl-3-methylbutanoic acid

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  • Identifiers

    CAS number
    32444-32-9

    Molecular formula
    C7H14O2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 92.03%
    Cheesy 67.95%
    Sour 49.54%
    Herbal 39.55%
    Pungent 35.96%
    Sweaty 34.65%
    Fermented 33.19%
    Fatty 32.93%
    Dairy 32.93%
    Berry 32.42%

     

    Flavor
    Fruity 68.5%
    Cheese 37.84%
    Green 36.59%
    Berry 35.45%
    Sour 32.72%
    Tropical 29.63%
    Sweaty 26.36%
    Animal 25.21%
    Acidic 24.62%
    Sharp 23.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.0 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    203°C

    Flash point

    • 87.88 ˚C est.

  • Synonyms

    • 2-ETHYL-3-METHYLBUTANOIC ACID
    • 32444-32-9
    • DTXSID40449494
    • RefChem:260526
    • DTXCID10400315
    • 826-679-0
    • 2-ETHYL-3-METHYLBUTANOICACID
    • SCHEMBL112582
    • SCHEMBL277024
    • 2-ethyl-3-methyl butanoic acid
    • XJCPTWKSNPIJRN-UHFFFAOYSA-N
    • HBA44432
    • AKOS010365345
    • DB-217327
    • EN300-259964
    • G40320
    • 32444-32-9

  • Applications

    2-Ethyl-3-methylbutanoic acid (CAS 32444-32-9) is used primarily as an intermediate in organic synthesis, with its derivatives employed to form esters that convey fruity or floral notes for fragrances; it may serve as a precursor in flavor chemistry for aroma compounds; in cosmetics/personal care, it can function as a fragrance ingredient or fragrance intermediate; in industrial manufacturing, it provides a building block for the synthesis of specialty esters and resins; esters derived from it may be used in coatings and inks as fragrance additives or functional modifiers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1068.56
    methanol 1754.05
    isopropanol 692.59
    water 10.18
    ethyl acetate 374.53
    n-propanol 757.88
    acetone 463.95
    n-butanol 575.78
    acetonitrile 501.64
    DMF 328.28
    toluene 72.18
    isobutanol 491.86
    1,4-dioxane 1156.68
    methyl acetate 358.08
    THF 1590.13
    2-butanone 364.12
    n-pentanol 440.41
    sec-butanol 539.14
    n-hexane 100.82
    ethylene glycol 252.82
    NMP 866.35
    cyclohexane 69.25
    DMSO 818.68
    n-butyl acetate 449.5
    n-octanol 213.24
    chloroform 523.5
    n-propyl acetate 236.19
    acetic acid 960.35
    dichloromethane 490.95
    cyclohexanone 673.8
    propylene glycol 262.66
    isopropyl acetate 220.07
    DMAc 199.09
    2-ethoxyethanol 420.61
    isopentanol 431.52
    n-heptane 52.58
    ethyl formate 303.35
    1,2-dichloroethane 393.65
    n-hexanol 723.84
    2-methoxyethanol 731.76
    isobutyl acetate 143.55
    tetrachloromethane 117.13
    n-pentyl acetate 226.01
    transcutol 909.4
    n-heptanol 241.56
    ethylbenzene 59.44
    MIBK 203.32
    2-propoxyethanol 779.43
    tert-butanol 798.8
    MTBE 434.26
    2-butoxyethanol 324.96
    propionic acid 630.53
    o-xylene 64.11
    formic acid 490.95
    diethyl ether 403.38
    m-xylene 78.87
    p-xylene 77.82
    chlorobenzene 186.59
    dimethyl carbonate 67.22
    n-octane 19.53
    formamide 432.18
    cyclopentanone 875.88
    2-pentanone 317.22
    anisole 139.04
    cyclopentyl methyl ether 589.83
    gamma-butyrolactone 1181.57
    1-methoxy-2-propanol 451.07
    pyridine 342.69
    3-pentanone 199.25
    furfural 602.66
    n-dodecane 15.17
    diethylene glycol 526.59
    diisopropyl ether 131.17
    tert-amyl alcohol 558.05
    acetylacetone 294.76
    n-hexadecane 17.01
    acetophenone 138.02
    methyl propionate 250.5
    isopentyl acetate 356.02
    trichloroethylene 591.45
    n-nonanol 171.69
    cyclohexanol 505.35
    benzyl alcohol 152.45
    2-ethylhexanol 312.01
    isooctanol 186.34
    dipropyl ether 236.79
    1,2-dichlorobenzene 179.84
    ethyl lactate 104.75
    propylene carbonate 515.95
    n-methylformamide 444.48
    2-pentanol 392.16
    n-pentane 65.33
    1-propoxy-2-propanol 503.19
    1-methoxy-2-propyl acetate 328.38
    2-(2-methoxypropoxy) propanol 231.36
    mesitylene 65.22
    ε-caprolactone 680.07
    p-cymene 68.89
    epichlorohydrin 904.36
    1,1,1-trichloroethane 316.86
    2-aminoethanol 484.6
    morpholine-4-carbaldehyde 637.86
    sulfolane 1283.96
    2,2,4-trimethylpentane 37.97
    2-methyltetrahydrofuran 1218.05
    n-hexyl acetate 328.97
    isooctane 36.31
    2-(2-butoxyethoxy)ethanol 364.2
    sec-butyl acetate 143.72
    tert-butyl acetate 281.95
    decalin 39.57
    glycerin 313.32
    diglyme 479.03
    acrylic acid 459.67
    isopropyl myristate 113.47
    n-butyric acid 658.21
    acetyl acetate 187.07
    di(2-ethylhexyl) phthalate 115.74
    ethyl propionate 182.4
    nitromethane 850.97
    1,2-diethoxyethane 316.37
    benzonitrile 200.01
    trioctyl phosphate 105.59
    1-bromopropane 234.32
    gamma-valerolactone 991.9
    n-decanol 124.01
    triethyl phosphate 84.68
    4-methyl-2-pentanol 220.67
    propionitrile 361.46
    vinylene carbonate 360.61
    1,1,2-trichlorotrifluoroethane 448.45
    DMS 170.45
    cumene 58.9
    2-octanol 168.18
    2-hexanone 256.42
    octyl acetate 157.96
    limonene 122.42
    1,2-dimethoxyethane 520.21
    ethyl orthosilicate 89.45
    tributyl phosphate 119.93
    diacetone alcohol 370.25
    N,N-dimethylaniline 96.87
    acrylonitrile 348.77
    aniline 169.96
    1,3-propanediol 568.11
    bromobenzene 150.44
    dibromomethane 344.07
    1,1,2,2-tetrachloroethane 483.98
    2-methyl-cyclohexyl acetate 190.05
    tetrabutyl urea 137.12
    diisobutyl methanol 149.61
    2-phenylethanol 240.67
    styrene 62.11
    dioctyl adipate 143.3
    dimethyl sulfate 136.26
    ethyl butyrate 207.59
    methyl lactate 138.14
    butyl lactate 188.35
    diethyl carbonate 108.34
    propanediol butyl ether 289.94
    triethyl orthoformate 136.88
    p-tert-butyltoluene 70.7
    methyl 4-tert-butylbenzoate 183.08
    morpholine 1233.49
    tert-butylamine 486.63
    n-dodecanol 93.0
    dimethoxymethane 265.33
    ethylene carbonate 337.94
    cyrene 211.32
    2-ethoxyethyl acetate 259.8
    2-ethylhexyl acetate 259.55
    1,2,4-trichlorobenzene 209.88
    4-methylpyridine 301.59
    dibutyl ether 169.36
    2,6-dimethyl-4-heptanol 149.61
    DEF 282.0
    dimethyl isosorbide 439.35
    tetrachloroethylene 373.81
    eugenol 177.14
    triacetin 186.85
    span 80 262.02
    1,4-butanediol 233.54
    1,1-dichloroethane 340.79
    2-methyl-1-pentanol 345.92
    methyl formate 311.03
    2-methyl-1-butanol 410.78
    n-decane 26.56
    butyronitrile 382.54
    3,7-dimethyl-1-octanol 189.94
    1-chlorooctane 113.35
    1-chlorotetradecane 40.23
    n-nonane 26.81
    undecane 19.41
    tert-butylcyclohexane 46.75
    cyclooctane 25.24
    cyclopentanol 756.99
    tetrahydropyran 965.86
    tert-amyl methyl ether 268.36
    2,5,8-trioxanonane 336.72
    1-hexene 213.83
    2-isopropoxyethanol 276.77
    2,2,2-trifluoroethanol 277.25
    methyl butyrate 245.11

    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