2-Ethylbutyric acid

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  • Identifiers

    CAS number
    88-09-5

    Molecular formula
    C6H12O2

    SMILES
    CCC(CC)C(=O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1657.0

  • Odor profile

    Fruity 94.75%
    Cheesy 77.25%
    Sour 50.01%
    Sweet 48.93%
    Dairy 44.08%
    Fatty 42.11%
    Tropical 41.68%
    Pungent 39.56%
    Buttery 39.37%
    Creamy 38.27%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.02 (weak base)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -15 °C

    Boiling point

    • 99.00 to 101.00 °C. @ 18.00 mm Hg

    Flash point est.
    82.34 ˚C

    Solubility expt.

    • 18 mg/mL at 20 °C
    • miscible with alcohol, ether; soluble in water 1 ml in 65 ml

  • Synonyms

    • 2-ETHYLBUTYRIC ACID
    • 2-Ethylbutanoic acid
    • 88-09-5
    • Diethylacetic acid
    • Butanoic acid, 2-ethyl-
    • Acetic acid, diethyl-
    • 3-Pentanecarboxylic acid
    • 2-Ethyl butanoic acid
    • Butyric acid, 2-ethyl-
    • alpha-Ethylbutyric acid
    • alpha-Ethylbuytyric acid
    • diethyl acetic acid
    • Kyselina diethyloctova
    • 2-Ethyl-butyric acid
    • FEMA No. 2429
    • .alpha.-Ethylbutyric acid
    • 2-ethyl-butanoic acid
    • NSC 11765
    • Kyselina diethyloctova [Czech]
    • EINECS 201-796-4
    • IDY8B990KE
    • BRN 1098634
    • DTXSID2041418
    • AI3-04629
    • 2-Ethyl-n-butyric acid
    • NSC-11765
    • (C2H5)2CHCOOH
    • DIETHYLACETIC ACID [MI]
    • DTXCID0021418
    • 2-ETHYLBUTYRIC ACID [FCC]
    • 2-ETHYLBUTYRIC ACID [FHFI]
    • 4-02-00-00950 (Beilstein Handbook Reference)
    • a-Ethylbutyric Acid
    • WLN: QVY2&2
    • 3-Pentane-Carboxylic Acid
    • UNII-IDY8B990KE
    • Diathylessigsaure
    • ethylbutyric acid
    • diethyl-acetic acid
    • 2-Ethylbutanoicacid
    • 2Ethylbutanoic acid
    • MFCD00002670
    • 2Ethyl butanoic acid
    • Acetic acid, diethyl
    • alphaEthylbutyric acid
    • Butyric acid, 2ethyl
    • 3Pentanecarboxylic acid
    • Butanoic acid, 2ethyl
    • pentane-3-carboxylic acid
    • 2-Ethylbutyric acid, 8CI
    • SCHEMBL6114
    • 2-Ethylbutyric acid, 99%
    • CHEMBL184290
    • FEMA 2429
    • NSC8758
    • CHEBI:173424
    • NSC-8758
    • NSC11765
    • STR03488
    • Tox21_301054
    • BBL018400
    • LMFA01020077
    • MSK000713
    • s6057
    • STL168031
    • AKOS000120398
    • CS-W004154
    • HY-W004154
    • CAS-88-09-5
    • NCGC00248269-01
    • NCGC00254956-01
    • 2-Ethylbutyric acid, >=98%, FCC, FG
    • DB-057043
    • E0070
    • EN300-20446
    • E77046
    • Q10844268
    • F2191-0102
    • Z104478232
    • 201-796-4

  • Applications

    2-Ethylbutyric acid (CAS 88-09-5) is a branched-chain carboxylic acid widely employed as an intermediate in organic synthesis to produce 2-ethylbutyrate esters with rich fruity, buttery notes for food flavoring and fine fragrances, and as a precursor in manufacturing butyrate-containing pharmaceuticals that exhibit immunomodulatory and neuroprotective effects; in the polymer industry it undergoes esterification to yield plasticizers, lubricant additives, and acid-functional monomers that enhance mechanical properties of resins; in agriculture it serves as a palatability enhancer in animal feed formulations; additionally it acts as an analytical reference standard for GC-MS and LC-MS, a pH-modulating component in metal–organic material synthesis, and a starting reagent for Grignard sequences and selective reductions in research laboratories.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 472.84
    methanol 791.38
    isopropanol 339.93
    water 5.43
    ethyl acetate 187.35
    n-propanol 342.3
    acetone 246.54
    n-butanol 290.62
    acetonitrile 247.78
    DMF 281.14
    toluene 33.99
    isobutanol 239.49
    1,4-dioxane 581.48
    methyl acetate 183.92
    THF 722.68
    2-butanone 195.11
    n-pentanol 242.47
    sec-butanol 270.94
    n-hexane 56.19
    ethylene glycol 119.75
    NMP 674.37
    cyclohexane 40.75
    DMSO 634.57
    n-butyl acetate 250.84
    n-octanol 134.51
    chloroform 343.24
    n-propyl acetate 144.26
    acetic acid 544.14
    dichloromethane 337.17
    cyclohexanone 401.42
    propylene glycol 136.85
    isopropyl acetate 117.72
    DMAc 185.72
    2-ethoxyethanol 239.36
    isopentanol 229.09
    n-heptane 26.76
    ethyl formate 163.23
    1,2-dichloroethane 259.86
    n-hexanol 293.94
    2-methoxyethanol 363.86
    isobutyl acetate 86.65
    tetrachloromethane 78.44
    n-pentyl acetate 172.17
    transcutol 661.42
    n-heptanol 142.36
    ethylbenzene 39.97
    MIBK 115.42
    2-propoxyethanol 359.18
    tert-butanol 397.93
    MTBE 199.33
    2-butoxyethanol 213.15
    propionic acid 351.25
    o-xylene 42.21
    formic acid 269.0
    diethyl ether 192.64
    m-xylene 42.72
    p-xylene 56.16
    chlorobenzene 124.86
    dimethyl carbonate 38.49
    n-octane 14.46
    formamide 281.95
    cyclopentanone 533.38
    2-pentanone 167.84
    anisole 92.45
    cyclopentyl methyl ether 268.99
    gamma-butyrolactone 749.89
    1-methoxy-2-propanol 251.07
    pyridine 216.52
    3-pentanone 112.54
    furfural 439.34
    n-dodecane 11.45
    diethylene glycol 266.24
    diisopropyl ether 69.56
    tert-amyl alcohol 289.3
    acetylacetone 176.47
    n-hexadecane 12.8
    acetophenone 105.37
    methyl propionate 134.27
    isopentyl acetate 216.6
    trichloroethylene 407.65
    n-nonanol 113.41
    cyclohexanol 257.74
    benzyl alcohol 100.66
    2-ethylhexanol 157.78
    isooctanol 117.05
    dipropyl ether 123.35
    1,2-dichlorobenzene 137.73
    ethyl lactate 68.74
    propylene carbonate 325.95
    n-methylformamide 266.99
    2-pentanol 201.68
    n-pentane 34.58
    1-propoxy-2-propanol 249.87
    1-methoxy-2-propyl acetate 180.38
    2-(2-methoxypropoxy) propanol 169.53
    mesitylene 38.51
    ε-caprolactone 416.38
    p-cymene 49.17
    epichlorohydrin 516.88
    1,1,1-trichloroethane 194.42
    2-aminoethanol 232.87
    morpholine-4-carbaldehyde 434.58
    sulfolane 968.53
    2,2,4-trimethylpentane 24.03
    2-methyltetrahydrofuran 563.77
    n-hexyl acetate 238.39
    isooctane 19.41
    2-(2-butoxyethoxy)ethanol 255.94
    sec-butyl acetate 91.67
    tert-butyl acetate 147.74
    decalin 26.91
    glycerin 174.13
    diglyme 338.15
    acrylic acid 286.82
    isopropyl myristate 84.77
    n-butyric acid 357.66
    acetyl acetate 103.99
    di(2-ethylhexyl) phthalate 88.36
    ethyl propionate 107.58
    nitromethane 497.75
    1,2-diethoxyethane 216.88
    benzonitrile 145.72
    trioctyl phosphate 77.12
    1-bromopropane 142.8
    gamma-valerolactone 619.66
    n-decanol 83.1
    triethyl phosphate 65.12
    4-methyl-2-pentanol 114.63
    propionitrile 182.53
    vinylene carbonate 246.28
    1,1,2-trichlorotrifluoroethane 298.79
    DMS 121.36
    cumene 42.31
    2-octanol 106.46
    2-hexanone 155.15
    octyl acetate 114.57
    limonene 76.78
    1,2-dimethoxyethane 304.08
    ethyl orthosilicate 67.58
    tributyl phosphate 92.76
    diacetone alcohol 205.5
    N,N-dimethylaniline 72.75
    acrylonitrile 204.45
    aniline 97.69
    1,3-propanediol 293.94
    bromobenzene 104.44
    dibromomethane 236.58
    1,1,2,2-tetrachloroethane 363.56
    2-methyl-cyclohexyl acetate 132.41
    tetrabutyl urea 111.26
    diisobutyl methanol 83.66
    2-phenylethanol 141.86
    styrene 46.08
    dioctyl adipate 115.17
    dimethyl sulfate 99.32
    ethyl butyrate 126.93
    methyl lactate 86.37
    butyl lactate 145.74
    diethyl carbonate 74.75
    propanediol butyl ether 202.76
    triethyl orthoformate 95.88
    p-tert-butyltoluene 48.28
    methyl 4-tert-butylbenzoate 139.77
    morpholine 597.58
    tert-butylamine 254.34
    n-dodecanol 63.34
    dimethoxymethane 149.24
    ethylene carbonate 209.52
    cyrene 161.2
    2-ethoxyethyl acetate 189.48
    2-ethylhexyl acetate 167.24
    1,2,4-trichlorobenzene 161.03
    4-methylpyridine 188.25
    dibutyl ether 121.11
    2,6-dimethyl-4-heptanol 83.66
    DEF 192.34
    dimethyl isosorbide 318.56
    tetrachloroethylene 275.87
    eugenol 140.74
    triacetin 151.44
    span 80 187.8
    1,4-butanediol 141.71
    1,1-dichloroethane 209.21
    2-methyl-1-pentanol 190.38
    methyl formate 175.2
    2-methyl-1-butanol 218.68
    n-decane 19.23
    butyronitrile 203.18
    3,7-dimethyl-1-octanol 124.43
    1-chlorooctane 79.68
    1-chlorotetradecane 32.34
    n-nonane 19.13
    undecane 14.38
    tert-butylcyclohexane 30.89
    cyclooctane 14.3
    cyclopentanol 393.49
    tetrahydropyran 443.71
    tert-amyl methyl ether 144.65
    2,5,8-trioxanonane 251.01
    1-hexene 126.87
    2-isopropoxyethanol 160.12
    2,2,2-trifluoroethanol 169.75
    methyl butyrate 150.41

    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

Botanical

Name CAS Botanical Proportion
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.45%