2-(Hexyloxy)ethyl pivalate

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  • Identifiers

    CAS number
    68757-58-4

    Molecular formula
    C13H26O3

    SMILES
    CCCCCCOCCOC(=O)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 84.03%
    Fruity 77.1%
    Herbal 53.53%
    Oily 53.08%
    Sweet 52.83%
    Floral 51.87%
    Apple 47.53%
    Fresh 39.14%
    Waxy 38.57%
    Winey 37.24%

     

    Flavor
    Fruity 82.62%
    Green 76.98%
    Sweet 60.74%
    Apple 46.98%
    Tropical 45.47%
    Floral 42.62%
    Waxy 41.91%
    Fruit 35.48%
    Pineapple 35.4%
    Pear 34.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.59 (neutral)

    Molecular weight
    230.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 106.18 ˚C est.

  • Synonyms

    • 2-(Hexyloxy)ethyl pivalate
    • Hexoxyethyl neopentanoate
    • 68757-58-4
    • EINECS 272-144-4
    • DTXSID3071725
    • Propanoic acid, 2,2-dimethyl-, 2-(hexyloxy)ethyl ester
    • RefChem:461026
    • DTXCID2046202
    • 272-144-4
    • 2-(HEXYLOXY)ETHYL 2,2-DIMETHYLPROPANOATE
    • SCHEMBL24119215
    • YSKDJKMFKJVKLA-UHFFFAOYSA-N
    • NS00036684
    • 68757-58-4

  • Applications

    2-(Hexyloxy)ethyl pivalate (CAS 68757-58-4) is the pivalate ester of 2-(hexyloxy)ethyl. In practice, it is used as a plasticizer for polymers and resins, helping to impart flexibility and processing ease. It is also employed as a processing solvent or medium for coatings, inks, and adhesive formulations, aiding thinning, dispersion, and compatibility. Additionally, it is commonly used as an intermediate in organic synthesis to prepare other esters or functional materials. In cosmetic and personal care formulations, it may serve as a solvent or emollient compatible with oil phases. In other industrial settings, it can function as a processing solvent or synthetic intermediate for various chemical reactions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10145.03
    methanol 10707.92
    isopropanol 8811.93
    water 3.63
    ethyl acetate 18707.98
    n-propanol 7903.42
    acetone 13692.0
    n-butanol 7696.76
    acetonitrile 12013.77
    DMF 8908.17
    toluene 4303.84
    isobutanol 7053.6
    1,4-dioxane 9723.53
    methyl acetate 10894.32
    THF 10381.35
    2-butanone 10666.73
    n-pentanol 4614.38
    sec-butanol 8333.18
    n-hexane 2047.3
    ethylene glycol 797.28
    NMP 5780.2
    cyclohexane 3676.15
    DMSO 6432.18
    n-butyl acetate 9512.98
    n-octanol 2647.95
    chloroform 20519.45
    n-propyl acetate 9423.62
    acetic acid 9694.62
    dichloromethane 18008.13
    cyclohexanone 12269.27
    propylene glycol 1357.82
    isopropyl acetate 12673.15
    DMAc 8005.37
    2-ethoxyethanol 6560.15
    isopentanol 8017.81
    n-heptane 889.64
    ethyl formate 7854.32
    1,2-dichloroethane 12565.47
    n-hexanol 4726.42
    2-methoxyethanol 8801.87
    isobutyl acetate 5543.07
    tetrachloromethane 5123.77
    n-pentyl acetate 5784.05
    transcutol 15651.26
    n-heptanol 2450.16
    ethylbenzene 2863.66
    MIBK 6986.53
    2-propoxyethanol 6070.38
    tert-butanol 11916.56
    MTBE 14696.98
    2-butoxyethanol 4290.46
    propionic acid 6790.64
    o-xylene 3127.94
    formic acid 2613.59
    diethyl ether 13026.23
    m-xylene 3138.77
    p-xylene 4256.01
    chlorobenzene 4992.62
    dimethyl carbonate 2650.56
    n-octane 448.81
    formamide 3853.17
    cyclopentanone 9429.63
    2-pentanone 11111.76
    anisole 4128.66
    cyclopentyl methyl ether 8571.43
    gamma-butyrolactone 9996.14
    1-methoxy-2-propanol 6995.49
    pyridine 7143.56
    3-pentanone 7597.79
    furfural 6666.98
    n-dodecane 223.18
    diethylene glycol 2961.76
    diisopropyl ether 4903.78
    tert-amyl alcohol 11121.18
    acetylacetone 10408.35
    n-hexadecane 267.86
    acetophenone 4141.33
    methyl propionate 8856.78
    isopentyl acetate 8498.71
    trichloroethylene 21233.31
    n-nonanol 2126.87
    cyclohexanol 8188.86
    benzyl alcohol 2958.99
    2-ethylhexanol 3457.03
    isooctanol 2336.24
    dipropyl ether 4598.64
    1,2-dichlorobenzene 4611.73
    ethyl lactate 2164.91
    propylene carbonate 6309.14
    n-methylformamide 5956.53
    2-pentanol 7317.12
    n-pentane 1729.26
    1-propoxy-2-propanol 5032.12
    1-methoxy-2-propyl acetate 6419.09
    2-(2-methoxypropoxy) propanol 2626.26
    mesitylene 2111.37
    ε-caprolactone 11423.88
    p-cymene 1666.31
    epichlorohydrin 11888.63
    1,1,1-trichloroethane 16940.53
    2-aminoethanol 2521.36
    morpholine-4-carbaldehyde 7532.0
    sulfolane 7584.46
    2,2,4-trimethylpentane 1027.99
    2-methyltetrahydrofuran 11323.73
    n-hexyl acetate 6969.51
    isooctane 662.48
    2-(2-butoxyethoxy)ethanol 4118.77
    sec-butyl acetate 7941.67
    tert-butyl acetate 10534.3
    decalin 1325.78
    glycerin 1473.46
    diglyme 8224.85
    acrylic acid 4109.94
    isopropyl myristate 1795.59
    n-butyric acid 12749.7
    acetyl acetate 9807.35
    di(2-ethylhexyl) phthalate 1171.82
    ethyl propionate 7757.35
    nitromethane 16488.83
    1,2-diethoxyethane 7485.3
    benzonitrile 4770.3
    trioctyl phosphate 1013.73
    1-bromopropane 9288.81
    gamma-valerolactone 11525.92
    n-decanol 1284.5
    triethyl phosphate 1719.28
    4-methyl-2-pentanol 3831.83
    propionitrile 8447.46
    vinylene carbonate 5480.81
    1,1,2-trichlorotrifluoroethane 7857.68
    DMS 3942.31
    cumene 1960.64
    2-octanol 2107.59
    2-hexanone 6632.63
    octyl acetate 2183.01
    limonene 3068.18
    1,2-dimethoxyethane 10176.92
    ethyl orthosilicate 1979.93
    tributyl phosphate 1512.1
    diacetone alcohol 6820.54
    N,N-dimethylaniline 2679.63
    acrylonitrile 7598.64
    aniline 3916.07
    1,3-propanediol 4559.67
    bromobenzene 5914.07
    dibromomethane 12772.41
    1,1,2,2-tetrachloroethane 17150.85
    2-methyl-cyclohexyl acetate 3486.89
    tetrabutyl urea 1568.53
    diisobutyl methanol 1903.87
    2-phenylethanol 2556.39
    styrene 3216.99
    dioctyl adipate 2163.91
    dimethyl sulfate 3243.2
    ethyl butyrate 6288.71
    methyl lactate 2383.42
    butyl lactate 3192.87
    diethyl carbonate 3344.76
    propanediol butyl ether 2964.23
    triethyl orthoformate 3458.04
    p-tert-butyltoluene 1535.89
    methyl 4-tert-butylbenzoate 2669.03
    morpholine 11418.0
    tert-butylamine 8136.34
    n-dodecanol 869.53
    dimethoxymethane 6770.75
    ethylene carbonate 5950.2
    cyrene 1807.61
    2-ethoxyethyl acetate 5717.99
    2-ethylhexyl acetate 6231.47
    1,2,4-trichlorobenzene 4948.18
    4-methylpyridine 8663.65
    dibutyl ether 4591.3
    2,6-dimethyl-4-heptanol 1903.87
    DEF 10802.64
    dimethyl isosorbide 3827.01
    tetrachloroethylene 12513.92
    eugenol 2206.61
    triacetin 4027.07
    span 80 2330.35
    1,4-butanediol 1873.14
    1,1-dichloroethane 16088.72
    2-methyl-1-pentanol 4759.13
    methyl formate 4677.76
    2-methyl-1-butanol 7440.59
    n-decane 511.71
    butyronitrile 10320.32
    3,7-dimethyl-1-octanol 2775.94
    1-chlorooctane 2292.85
    1-chlorotetradecane 614.4
    n-nonane 570.19
    undecane 309.37
    tert-butylcyclohexane 1198.09
    cyclooctane 1052.22
    cyclopentanol 5788.72
    tetrahydropyran 12995.94
    tert-amyl methyl ether 9864.09
    2,5,8-trioxanonane 3976.83
    1-hexene 5199.23
    2-isopropoxyethanol 5294.74
    2,2,2-trifluoroethanol 3256.79
    methyl butyrate 10844.23

    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