Hexanoic acid, 2-ethyl-, butyl ester

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  • Identifiers

    CAS number
    68443-63-0

    Molecular formula
    C12H24O2

    SMILES
    CCCCC(CC)C(=O)OCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 87.81%
    Herbal 67.58%
    Oily 53.72%
    Fatty 49.7%
    Apple 47.6%
    Winey 39.75%
    Woody 39.13%
    Waxy 34.47%
    Sweet 33.8%
    Floral 33.54%

     

    Flavor
    Fruity 83.67%
    Green 65.92%
    Waxy 52.78%
    Apple 50.81%
    Sweet 44.13%
    Tropical 40.39%
    Pear 38.13%
    Berry 37.79%
    Wine 36.27%
    Oily 36.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.81 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    226°C

    Flash point

    • 93.38 ˚C est.

  • Synonyms

    • Butyl 2-ethylhexanoate
    • Hexanoic acid, 2-ethyl-, butyl ester
    • EINECS 270-543-8
    • AI3-07950
    • USPADFUBVAGYOJ-UHFFFAOYSA-
    • DTXSID70867627
    • Butyl 2ethylhexanoate
    • RefChem:146180
    • DTXCID20815799
    • 270-543-8
    • InChI=1/C12H24O2/c1-4-7-9-11(6-3)12(13)14-10-8-5-2/h11H,4-10H2,1-3H3
    • USPADFUBVAGYOJ-UHFFFAOYSA-N
    • 68443-63-0
    • 2-ETHYLHEXANOIC ACID N-BUTYL ESTER
    • MFCD00059430
    • Butyl2-ethylhexanoate
    • 2-Ethyl-hexanoic Acid Butyl Ester;
    • 2-Ethylhexanoic Acid Butyl Ester
    • SCHEMBL120636
    • orb2664744
    • SCHEMBL8407411
    • SBB061121
    • AKOS024390931
    • CS-0438913
    • NS00062579
    • ST51047180
    • D90423
    • F765005
    • 68443-63-0

  • Applications

    Hexanoic acid, 2-ethyl-, butyl ester (CAS 68443-63-0) is used primarily as a plasticizer for polymers such as PVC, improving flexibility and film-forming properties. It also serves as a solvent and processing aid in coatings, inks, and adhesives, aiding resin dissolution and rheology adjustment. In perfumery and personal care, it can function as a fragrance ingredient and fixative or solvent to carry scents in formulations. It may be used as a cosmetic/personal care solvent or carrier for active ingredients, within formulation limits. In industrial manufacturing it can serve as an intermediate or processing solvent where a non-polar ester is appropriate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25596.89
    methanol 22424.26
    isopropanol 24665.28
    water 1.33
    ethyl acetate 24221.59
    n-propanol 21887.65
    acetone 36115.73
    n-butanol 20214.69
    acetonitrile 26567.45
    DMF 19742.43
    toluene 8434.51
    isobutanol 18839.83
    1,4-dioxane 21577.95
    methyl acetate 15657.33
    THF 24803.71
    2-butanone 23465.62
    n-pentanol 11682.43
    sec-butanol 21608.68
    n-hexane 5816.72
    ethylene glycol 1191.22
    NMP 13933.01
    cyclohexane 11565.26
    DMSO 15077.72
    n-butyl acetate 21812.65
    n-octanol 6118.77
    chloroform 42328.45
    n-propyl acetate 14524.29
    acetic acid 15315.56
    dichloromethane 38684.35
    cyclohexanone 35460.02
    propylene glycol 2425.2
    isopropyl acetate 14613.48
    DMAc 11073.36
    2-ethoxyethanol 8337.44
    isopentanol 17413.99
    n-heptane 2675.09
    ethyl formate 13361.19
    1,2-dichloroethane 28372.69
    n-hexanol 12666.5
    2-methoxyethanol 13532.11
    isobutyl acetate 7540.52
    tetrachloromethane 7793.17
    n-pentyl acetate 11734.18
    transcutol 19404.06
    n-heptanol 5163.64
    ethylbenzene 4892.3
    MIBK 10375.58
    2-propoxyethanol 10873.31
    tert-butanol 22973.9
    MTBE 25129.05
    2-butoxyethanol 6217.27
    propionic acid 11685.46
    o-xylene 4410.48
    formic acid 2460.04
    diethyl ether 25714.94
    m-xylene 4450.28
    p-xylene 6921.17
    chlorobenzene 14946.34
    dimethyl carbonate 2968.73
    n-octane 1176.06
    formamide 4296.92
    cyclopentanone 24519.77
    2-pentanone 21847.79
    anisole 7419.22
    cyclopentyl methyl ether 14188.57
    gamma-butyrolactone 21534.04
    1-methoxy-2-propanol 10022.08
    pyridine 27827.77
    3-pentanone 12765.82
    furfural 14416.03
    n-dodecane 616.06
    diethylene glycol 4133.62
    diisopropyl ether 6885.3
    tert-amyl alcohol 18926.36
    acetylacetone 14477.45
    n-hexadecane 747.22
    acetophenone 6762.16
    methyl propionate 11603.89
    isopentyl acetate 15822.71
    trichloroethylene 43492.18
    n-nonanol 4767.24
    cyclohexanol 20548.9
    benzyl alcohol 5737.15
    2-ethylhexanol 7934.64
    isooctanol 4329.12
    dipropyl ether 10068.8
    1,2-dichlorobenzene 10292.87
    ethyl lactate 2799.52
    propylene carbonate 12094.11
    n-methylformamide 11576.19
    2-pentanol 16177.82
    n-pentane 4659.75
    1-propoxy-2-propanol 9447.95
    1-methoxy-2-propyl acetate 7842.48
    2-(2-methoxypropoxy) propanol 3484.9
    mesitylene 2975.1
    ε-caprolactone 24263.72
    p-cymene 2700.3
    epichlorohydrin 25084.45
    1,1,1-trichloroethane 27826.29
    2-aminoethanol 4237.23
    morpholine-4-carbaldehyde 11537.52
    sulfolane 16345.82
    2,2,4-trimethylpentane 1454.3
    2-methyltetrahydrofuran 26010.38
    n-hexyl acetate 12836.39
    isooctane 1207.26
    2-(2-butoxyethoxy)ethanol 5687.45
    sec-butyl acetate 8966.56
    tert-butyl acetate 10522.27
    decalin 2438.67
    glycerin 2147.51
    diglyme 11415.09
    acrylic acid 7424.57
    isopropyl myristate 3596.53
    n-butyric acid 24364.08
    acetyl acetate 9689.67
    di(2-ethylhexyl) phthalate 2094.39
    ethyl propionate 10175.24
    nitromethane 21356.85
    1,2-diethoxyethane 13294.58
    benzonitrile 13028.64
    trioctyl phosphate 1894.9
    1-bromopropane 22058.85
    gamma-valerolactone 23512.71
    n-decanol 2977.15
    triethyl phosphate 2354.54
    4-methyl-2-pentanol 6376.79
    propionitrile 21770.54
    vinylene carbonate 10807.89
    1,1,2-trichlorotrifluoroethane 11736.02
    DMS 5159.98
    cumene 2985.37
    2-octanol 4900.37
    2-hexanone 13392.59
    octyl acetate 4511.71
    limonene 5188.03
    1,2-dimethoxyethane 18034.97
    ethyl orthosilicate 2407.28
    tributyl phosphate 2648.1
    diacetone alcohol 7717.76
    N,N-dimethylaniline 4239.09
    acrylonitrile 18284.77
    aniline 9709.74
    1,3-propanediol 7760.1
    bromobenzene 16592.18
    dibromomethane 29410.42
    1,1,2,2-tetrachloroethane 33038.63
    2-methyl-cyclohexyl acetate 4986.46
    tetrabutyl urea 3195.12
    diisobutyl methanol 3729.2
    2-phenylethanol 5421.62
    styrene 7086.65
    dioctyl adipate 3952.9
    dimethyl sulfate 3451.42
    ethyl butyrate 10704.32
    methyl lactate 3000.11
    butyl lactate 5434.87
    diethyl carbonate 5107.18
    propanediol butyl ether 5017.92
    triethyl orthoformate 4981.38
    p-tert-butyltoluene 2467.56
    methyl 4-tert-butylbenzoate 4098.16
    morpholine 28947.79
    tert-butylamine 16978.55
    n-dodecanol 2075.61
    dimethoxymethane 10039.58
    ethylene carbonate 11298.27
    cyrene 2539.03
    2-ethoxyethyl acetate 8915.99
    2-ethylhexyl acetate 11686.99
    1,2,4-trichlorobenzene 10318.4
    4-methylpyridine 25781.67
    dibutyl ether 10724.34
    2,6-dimethyl-4-heptanol 3729.2
    DEF 18725.62
    dimethyl isosorbide 5476.69
    tetrachloroethylene 22003.45
    eugenol 3656.82
    triacetin 5305.04
    span 80 4241.35
    1,4-butanediol 3007.4
    1,1-dichloroethane 35239.66
    2-methyl-1-pentanol 10457.86
    methyl formate 7431.8
    2-methyl-1-butanol 16463.06
    n-decane 1403.57
    butyronitrile 30360.47
    3,7-dimethyl-1-octanol 5455.94
    1-chlorooctane 5233.64
    1-chlorotetradecane 1520.88
    n-nonane 1642.77
    undecane 858.15
    tert-butylcyclohexane 1998.45
    cyclooctane 2271.44
    cyclopentanol 16668.61
    tetrahydropyran 37581.01
    tert-amyl methyl ether 13223.89
    2,5,8-trioxanonane 5491.65
    1-hexene 15013.68
    2-isopropoxyethanol 6135.53
    2,2,2-trifluoroethanol 3131.6
    methyl butyrate 17066.85

    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