Hexanoic acid, 2-ethyl-, 2-hydroxypropyl ester

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  • Identifiers

    CAS number
    58921-10-1

    Molecular formula
    C11H22O3

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 76.54%
    Oily 44.39%
    Fatty 40.84%
    Herbal 33.24%
    Buttery 32.01%
    Lactonic 30.48%
    Sweet 29.83%
    Peach 28.66%
    Fresh 28.06%
    Creamy 27.46%

     

    Flavor
    Fruity 78.43%
    Waxy 49.26%
    Green 47.71%
    Sweet 38.65%
    Oily 36.28%
    Berry 36.08%
    Tropical 34.76%
    Creamy 31.25%
    Fatty 29.63%
    Apple 29.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.42 (weak base)

    Molecular weight
    202.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point

    • 112.77 ˚C est.

  • Synonyms

    • 2-Hydroxypropyl 2-ethylhexanoate
    • 58921-10-1
    • Hexanoic acid, 2-ethyl-, 2-hydroxypropyl ester
    • DTXSID50866719
    • RefChem:787299
    • DTXCID90814976
    • 261-499-0
    • EINECS 261-499-0
    • MFCD23142769
    • SCHEMBL2316277
    • RCYYLBZELJCFBT-UHFFFAOYSA-N
    • AS-78449
    • NS00055638
    • D93540
    • 58921-10-1

  • Applications

    Hexanoic acid, 2-ethyl-, 2-hydroxypropyl ester (CAS 58921-10-1) is predominantly used in industrial formulations as a plasticizer for polymers and as a solvent for coatings, inks, and adhesives; it also functions as an intermediate in chemical synthesis and processing aids in industrial manufacturing; in fragrance applications it can serve as a solvent for fragrance oils and act as a fixative or fragrance carrier, while its hydroxypropyl moiety may improve polarity and compatibility with other formulation components.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5914.96
    methanol 8273.12
    isopropanol 4982.48
    water 2.51
    ethyl acetate 2291.13
    n-propanol 4145.15
    acetone 3690.81
    n-butanol 3382.71
    acetonitrile 2038.61
    DMF 2823.31
    toluene 488.45
    isobutanol 3017.35
    1,4-dioxane 3071.35
    methyl acetate 1662.05
    THF 3252.56
    2-butanone 2157.91
    n-pentanol 2227.89
    sec-butanol 3571.22
    n-hexane 175.66
    ethylene glycol 684.65
    NMP 1857.97
    cyclohexane 332.62
    DMSO 3362.22
    n-butyl acetate 1939.3
    n-octanol 647.43
    chloroform 3272.31
    n-propyl acetate 1497.68
    acetic acid 3429.5
    dichloromethane 2674.13
    cyclohexanone 2941.81
    propylene glycol 1076.88
    isopropyl acetate 1474.18
    DMAc 1768.81
    2-ethoxyethanol 2127.83
    isopentanol 2628.03
    n-heptane 73.19
    ethyl formate 1807.92
    1,2-dichloroethane 1998.39
    n-hexanol 1928.98
    2-methoxyethanol 3493.6
    isobutyl acetate 905.66
    tetrachloromethane 454.13
    n-pentyl acetate 937.24
    transcutol 3985.42
    n-heptanol 676.2
    ethylbenzene 362.95
    MIBK 1046.44
    2-propoxyethanol 2069.94
    tert-butanol 4628.34
    MTBE 2766.05
    2-butoxyethanol 1162.27
    propionic acid 1971.04
    o-xylene 401.26
    formic acid 1155.2
    diethyl ether 1920.65
    m-xylene 372.09
    p-xylene 535.88
    chlorobenzene 927.09
    dimethyl carbonate 334.85
    n-octane 41.28
    formamide 1306.21
    cyclopentanone 2379.3
    2-pentanone 1846.06
    anisole 763.4
    cyclopentyl methyl ether 1330.52
    gamma-butyrolactone 2539.5
    1-methoxy-2-propanol 2192.66
    pyridine 1920.49
    3-pentanone 891.0
    furfural 2070.87
    n-dodecane 32.57
    diethylene glycol 1423.29
    diisopropyl ether 509.6
    tert-amyl alcohol 3394.95
    acetylacetone 1594.52
    n-hexadecane 37.43
    acetophenone 771.35
    methyl propionate 1121.18
    isopentyl acetate 1687.81
    trichloroethylene 3328.73
    n-nonanol 516.68
    cyclohexanol 2336.24
    benzyl alcohol 886.68
    2-ethylhexanol 916.49
    isooctanol 555.58
    dipropyl ether 675.91
    1,2-dichlorobenzene 781.95
    ethyl lactate 489.02
    propylene carbonate 1537.06
    n-methylformamide 1814.54
    2-pentanol 2234.03
    n-pentane 147.33
    1-propoxy-2-propanol 1507.96
    1-methoxy-2-propyl acetate 1098.46
    2-(2-methoxypropoxy) propanol 740.09
    mesitylene 251.47
    ε-caprolactone 2484.0
    p-cymene 252.57
    epichlorohydrin 2718.16
    1,1,1-trichloroethane 1659.39
    2-aminoethanol 1633.92
    morpholine-4-carbaldehyde 1966.28
    sulfolane 2393.54
    2,2,4-trimethylpentane 108.11
    2-methyltetrahydrofuran 2622.83
    n-hexyl acetate 1150.3
    isooctane 75.71
    2-(2-butoxyethoxy)ethanol 1177.83
    sec-butyl acetate 933.05
    tert-butyl acetate 1209.99
    decalin 136.59
    glycerin 1114.05
    diglyme 2057.52
    acrylic acid 1375.84
    isopropyl myristate 332.12
    n-butyric acid 3668.3
    acetyl acetate 1102.64
    di(2-ethylhexyl) phthalate 331.69
    ethyl propionate 934.17
    nitromethane 3298.09
    1,2-diethoxyethane 1344.8
    benzonitrile 1100.62
    trioctyl phosphate 271.17
    1-bromopropane 1216.49
    gamma-valerolactone 3051.97
    n-decanol 336.78
    triethyl phosphate 320.37
    4-methyl-2-pentanol 944.31
    propionitrile 1673.75
    vinylene carbonate 1317.77
    1,1,2-trichlorotrifluoroethane 1968.47
    DMS 593.48
    cumene 263.48
    2-octanol 503.15
    2-hexanone 1309.63
    octyl acetate 452.89
    limonene 433.84
    1,2-dimethoxyethane 3008.4
    ethyl orthosilicate 342.14
    tributyl phosphate 347.73
    diacetone alcohol 1318.6
    N,N-dimethylaniline 480.58
    acrylonitrile 1691.95
    aniline 947.08
    1,3-propanediol 2410.33
    bromobenzene 882.04
    dibromomethane 1845.13
    1,1,2,2-tetrachloroethane 2964.01
    2-methyl-cyclohexyl acetate 643.29
    tetrabutyl urea 398.44
    diisobutyl methanol 449.43
    2-phenylethanol 821.15
    styrene 487.61
    dioctyl adipate 476.63
    dimethyl sulfate 515.93
    ethyl butyrate 958.27
    methyl lactate 577.23
    butyl lactate 715.57
    diethyl carbonate 557.88
    propanediol butyl ether 1124.95
    triethyl orthoformate 585.07
    p-tert-butyltoluene 235.89
    methyl 4-tert-butylbenzoate 585.36
    morpholine 3957.73
    tert-butylamine 2543.93
    n-dodecanol 236.59
    dimethoxymethane 1263.07
    ethylene carbonate 1320.56
    cyrene 645.07
    2-ethoxyethyl acetate 977.91
    2-ethylhexyl acetate 1122.61
    1,2,4-trichlorobenzene 874.8
    4-methylpyridine 1901.54
    dibutyl ether 655.63
    2,6-dimethyl-4-heptanol 449.43
    DEF 1808.51
    dimethyl isosorbide 1032.21
    tetrachloroethylene 2041.74
    eugenol 626.7
    triacetin 753.95
    span 80 758.21
    1,4-butanediol 1067.39
    1,1-dichloroethane 2291.42
    2-methyl-1-pentanol 1745.21
    methyl formate 1222.36
    2-methyl-1-butanol 2430.92
    n-decane 61.41
    butyronitrile 2225.18
    3,7-dimethyl-1-octanol 637.08
    1-chlorooctane 340.08
    1-chlorotetradecane 106.4
    n-nonane 62.24
    undecane 42.3
    tert-butylcyclohexane 125.14
    cyclooctane 68.38
    cyclopentanol 2253.07
    tetrahydropyran 3258.09
    tert-amyl methyl ether 1476.26
    2,5,8-trioxanonane 1185.24
    1-hexene 785.69
    2-isopropoxyethanol 1391.43
    2,2,2-trifluoroethanol 735.57
    methyl butyrate 1727.26

    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