Propan-2-yl 2-ethylhexanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67024-46-8

    Molecular formula
    C11H22O2

    SMILES
    CCCCC(CC)C(=O)OC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.78%
    Herbal 63.32%
    Apple 48.94%
    Oily 45.85%
    Fatty 45.55%
    Woody 37.64%
    Winey 34.98%
    Sweet 29.97%
    Green 29.33%
    Waxy 28.76%

     

    Flavor
    Fruity 85.26%
    Green 59.83%
    Apple 42.11%
    Tropical 41.68%
    Berry 40.61%
    Sweet 39.02%
    Pineapple 38.79%
    Waxy 36.83%
    Oily 33.61%
    Herbal 32.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.31 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 77.33 ˚C est.

  • Synonyms

    • Isopropyl 2-ethylhexanoate
    • propan-2-yl 2-ethylhexanoate
    • 67024-46-8
    • 0SL9QL3RWN
    • methylethyl 2-ethylhexanoate
    • Hexanoic acid, 2-ethyl-, 1-methylethyl ester
    • DTXSID2044973
    • EINECS 266-549-5
    • 2-Ethylhexanoic acid 1-methylethyl ester
    • AI3-23181
    • J310.184C
    • DTXCID0024973
    • RefChem:868674
    • 266-549-5
    • UNII-0SL9QL3RWN
    • SCHEMBL332832
    • orb2664754
    • SCHEMBL9870328
    • CHEMBL3182784
    • ISOPROPYL-2-ETHYLHEXANOATE
    • Tox21_301232
    • MFCD00083570
    • SBB061198
    • 2-ethyl-hexanoic acid isopropyl ester
    • AKOS006280487
    • NCGC00256246-01
    • AS-76536
    • CAS-67024-46-8
    • DB-254979
    • NS00019836
    • ST51047248
    • D93276
    • Q27237204
    • 67024-46-8

  • Applications

    Propan-2-yl 2-ethylhexanoate may be used as a fragrance ingredient and fixative in perfumery, helping stabilize and carry aroma. In cosmetics and personal care, the ester can function as an emollient and solvent for active ingredients and formulation additives. It may also serve as a fragrance solvent or carrier in household products such as cleaners and air fresheners. In industrial manufacturing, it can act as a plasticizer or processing aid for polymers and coatings, or be used as a solvent/carrier in coatings and inks. It may be evaluated as an intermediate or formulation component in various production processes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6349.75
    methanol 5895.25
    isopropanol 7265.39
    water 1.93
    ethyl acetate 4205.59
    n-propanol 5942.74
    acetone 6517.86
    n-butanol 5850.15
    acetonitrile 5314.29
    DMF 5477.89
    toluene 2616.86
    isobutanol 5545.49
    1,4-dioxane 5953.01
    methyl acetate 3428.05
    THF 8293.96
    2-butanone 4897.35
    n-pentanol 3935.64
    sec-butanol 6687.51
    n-hexane 2609.26
    ethylene glycol 574.55
    NMP 4894.86
    cyclohexane 3800.56
    DMSO 4060.59
    n-butyl acetate 5181.55
    n-octanol 2752.89
    chloroform 16081.1
    n-propyl acetate 2766.85
    acetic acid 4332.11
    dichloromethane 11401.33
    cyclohexanone 9547.07
    propylene glycol 1340.71
    isopropyl acetate 2781.04
    DMAc 3518.18
    2-ethoxyethanol 2374.51
    isopentanol 5151.09
    n-heptane 1266.32
    ethyl formate 3059.94
    1,2-dichloroethane 6221.61
    n-hexanol 5274.72
    2-methoxyethanol 3890.51
    isobutyl acetate 1835.31
    tetrachloromethane 2565.35
    n-pentyl acetate 2987.88
    transcutol 5147.59
    n-heptanol 2193.82
    ethylbenzene 1736.86
    MIBK 2524.39
    2-propoxyethanol 3603.6
    tert-butanol 6783.35
    MTBE 5742.1
    2-butoxyethanol 2092.29
    propionic acid 3646.54
    o-xylene 1668.04
    formic acid 818.12
    diethyl ether 4947.17
    m-xylene 1630.76
    p-xylene 2393.82
    chlorobenzene 4404.73
    dimethyl carbonate 905.57
    n-octane 535.62
    formamide 1028.4
    cyclopentanone 7128.39
    2-pentanone 4378.14
    anisole 2196.54
    cyclopentyl methyl ether 4324.51
    gamma-butyrolactone 6669.1
    1-methoxy-2-propanol 3290.62
    pyridine 6713.3
    3-pentanone 2835.89
    furfural 4916.04
    n-dodecane 358.71
    diethylene glycol 1670.69
    diisopropyl ether 1714.03
    tert-amyl alcohol 6087.97
    acetylacetone 3302.86
    n-hexadecane 415.67
    acetophenone 2076.29
    methyl propionate 2616.17
    isopentyl acetate 4114.61
    trichloroethylene 11273.43
    n-nonanol 2155.02
    cyclohexanol 6999.04
    benzyl alcohol 1987.39
    2-ethylhexanol 3044.09
    isooctanol 1763.95
    dipropyl ether 2830.55
    1,2-dichlorobenzene 3355.56
    ethyl lactate 1007.63
    propylene carbonate 4150.83
    n-methylformamide 2810.42
    2-pentanol 4786.97
    n-pentane 1829.46
    1-propoxy-2-propanol 3319.81
    1-methoxy-2-propyl acetate 2477.37
    2-(2-methoxypropoxy) propanol 1576.49
    mesitylene 1164.78
    ε-caprolactone 6376.47
    p-cymene 1157.3
    epichlorohydrin 6499.0
    1,1,1-trichloroethane 7587.96
    2-aminoethanol 1650.68
    morpholine-4-carbaldehyde 3767.58
    sulfolane 6529.84
    2,2,4-trimethylpentane 680.18
    2-methyltetrahydrofuran 7323.6
    n-hexyl acetate 4356.19
    isooctane 523.09
    2-(2-butoxyethoxy)ethanol 2213.48
    sec-butyl acetate 1859.76
    tert-butyl acetate 2594.28
    decalin 1037.49
    glycerin 1141.57
    diglyme 3481.48
    acrylic acid 2429.13
    isopropyl myristate 1442.94
    n-butyric acid 6071.54
    acetyl acetate 2138.46
    di(2-ethylhexyl) phthalate 1034.97
    ethyl propionate 2041.48
    nitromethane 4750.76
    1,2-diethoxyethane 2880.69
    benzonitrile 3816.07
    trioctyl phosphate 930.63
    1-bromopropane 5958.58
    gamma-valerolactone 6671.03
    n-decanol 1424.48
    triethyl phosphate 946.96
    4-methyl-2-pentanol 2039.69
    propionitrile 5001.24
    vinylene carbonate 3743.78
    1,1,2-trichlorotrifluoroethane 3823.37
    DMS 1714.74
    cumene 1153.39
    2-octanol 2106.78
    2-hexanone 3302.23
    octyl acetate 1883.05
    limonene 2101.18
    1,2-dimethoxyethane 4704.86
    ethyl orthosilicate 951.58
    tributyl phosphate 1166.08
    diacetone alcohol 2404.16
    N,N-dimethylaniline 1529.83
    acrylonitrile 4504.87
    aniline 2830.58
    1,3-propanediol 2517.36
    bromobenzene 5151.17
    dibromomethane 9356.49
    1,1,2,2-tetrachloroethane 9911.1
    2-methyl-cyclohexyl acetate 1954.41
    tetrabutyl urea 1412.66
    diisobutyl methanol 1462.57
    2-phenylethanol 2184.1
    styrene 2187.32
    dioctyl adipate 1731.82
    dimethyl sulfate 1309.81
    ethyl butyrate 2559.63
    methyl lactate 1116.83
    butyl lactate 1860.35
    diethyl carbonate 1538.6
    propanediol butyl ether 2281.49
    triethyl orthoformate 1553.95
    p-tert-butyltoluene 1103.9
    methyl 4-tert-butylbenzoate 1720.59
    morpholine 7408.21
    tert-butylamine 5067.85
    n-dodecanol 1054.78
    dimethoxymethane 2603.06
    ethylene carbonate 3470.64
    cyrene 1307.4
    2-ethoxyethyl acetate 2181.57
    2-ethylhexyl acetate 3144.85
    1,2,4-trichlorobenzene 3571.12
    4-methylpyridine 6622.88
    dibutyl ether 3124.34
    2,6-dimethyl-4-heptanol 1462.57
    DEF 4005.18
    dimethyl isosorbide 2538.23
    tetrachloroethylene 6301.63
    eugenol 1535.52
    triacetin 2094.46
    span 80 2026.9
    1,4-butanediol 1241.43
    1,1-dichloroethane 8775.12
    2-methyl-1-pentanol 3556.11
    methyl formate 2040.7
    2-methyl-1-butanol 4967.45
    n-decane 689.62
    butyronitrile 6965.48
    3,7-dimethyl-1-octanol 2328.37
    1-chlorooctane 2166.62
    1-chlorotetradecane 765.38
    n-nonane 789.1
    undecane 468.44
    tert-butylcyclohexane 934.71
    cyclooctane 922.86
    cyclopentanol 6212.03
    tetrahydropyran 9434.28
    tert-amyl methyl ether 3472.18
    2,5,8-trioxanonane 2232.16
    1-hexene 5134.81
    2-isopropoxyethanol 1834.47
    2,2,2-trifluoroethanol 994.55
    methyl butyrate 3414.26

    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