2-Ethyl-3-hydroxyhexyl 2-methylpropanoate

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  • Identifiers

    CAS number
    74367-31-0

    Molecular formula
    C12H24O3

    SMILES
    CCCC(C(CC)COC(=O)C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 78.56%
    Oily 41.84%
    Sweet 33.79%
    Herbal 28.41%
    Fatty 27.9%
    Tropical 26.15%
    Berry 25.37%
    Apple 24.61%
    Buttery 24.38%
    Winey 24.17%

     

    Flavor
    Fruity 84.38%
    Green 48.11%
    Sweet 45.33%
    Tropical 42.22%
    Berry 37.26%
    Waxy 32.64%
    Oily 31.09%
    Apple 30.09%
    Pineapple 28.1%
    Grape 26.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.16 (weak base)

    Molecular weight
    216.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 110.43 ˚C est.

  • Synonyms

    • 2-Ethyl-3-hydroxyhexyl 2-methylpropanoate
    • 74367-31-0
    • DTXSID90334987
    • RefChem:260521
    • DTXCID70286076
    • (2-ethyl-3-hydroxyhexyl) 2-methylpropanoate
    • Propanoic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl ester
    • Isobutyric acid 2-ethyl-3-hydroxyhexyl ester
    • SCHEMBL6701143
    • CHEBI:229198
    • QQRIGCXMIPFTKR-UHFFFAOYSA-N
    • 2-Ethyl-3-Hydroxyhexyl Isobutyrate
    • 2-Ethyl-3-hydroxyhexyl 2-methylpropanoate #
    • NS00096162
    • 74367-31-0

  • Applications

    2-Ethyl-3-hydroxyhexyl 2-methylpropanoate (CAS number: 74367-31-0) is used in real-world formulations primarily as a fragrance ingredient and fixative in perfumery and cosmetics; it can act as a solvent or carrier for aroma components in household products; it is employed as a plasticizer and processing aid in polymers and coatings to improve flexibility; it may serve as an intermediate in the synthesis of other fragrance esters and specialty chemicals; and it is occasionally evaluated for use in cleaning formulations where odor delivery or formulation compatibility is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5853.37
    methanol 7698.72
    isopropanol 4829.29
    water 4.86
    ethyl acetate 4002.41
    n-propanol 4214.75
    acetone 5762.44
    n-butanol 3788.79
    acetonitrile 3167.06
    DMF 4018.55
    toluene 949.91
    isobutanol 3797.28
    1,4-dioxane 4457.44
    methyl acetate 2707.56
    THF 5045.64
    2-butanone 3200.16
    n-pentanol 2553.2
    sec-butanol 3929.42
    n-hexane 409.32
    ethylene glycol 512.24
    NMP 3495.97
    cyclohexane 648.53
    DMSO 4424.75
    n-butyl acetate 2983.11
    n-octanol 917.03
    chloroform 6012.58
    n-propyl acetate 2477.83
    acetic acid 5371.08
    dichloromethane 4548.41
    cyclohexanone 4840.4
    propylene glycol 974.71
    isopropyl acetate 2676.25
    DMAc 2791.33
    2-ethoxyethanol 2755.98
    isopentanol 3574.66
    n-heptane 128.27
    ethyl formate 2534.33
    1,2-dichloroethane 3394.11
    n-hexanol 2224.35
    2-methoxyethanol 4145.61
    isobutyl acetate 1504.48
    tetrachloromethane 1074.93
    n-pentyl acetate 1713.14
    transcutol 6237.16
    n-heptanol 967.86
    ethylbenzene 621.0
    MIBK 1876.28
    2-propoxyethanol 2574.72
    tert-butanol 6164.43
    MTBE 4852.72
    2-butoxyethanol 1647.75
    propionic acid 2967.15
    o-xylene 717.03
    formic acid 1646.89
    diethyl ether 3377.08
    m-xylene 697.39
    p-xylene 965.43
    chlorobenzene 1639.79
    dimethyl carbonate 626.02
    n-octane 62.52
    formamide 2096.58
    cyclopentanone 4329.21
    2-pentanone 3016.99
    anisole 1180.72
    cyclopentyl methyl ether 2611.8
    gamma-butyrolactone 4721.53
    1-methoxy-2-propanol 2797.54
    pyridine 2958.14
    3-pentanone 1803.53
    furfural 3303.03
    n-dodecane 44.28
    diethylene glycol 1530.87
    diisopropyl ether 1064.35
    tert-amyl alcohol 4806.81
    acetylacetone 2807.31
    n-hexadecane 52.75
    acetophenone 1245.93
    methyl propionate 2032.62
    isopentyl acetate 2546.28
    trichloroethylene 6280.58
    n-nonanol 724.93
    cyclohexanol 3417.3
    benzyl alcohol 1162.02
    2-ethylhexanol 1198.17
    isooctanol 805.83
    dipropyl ether 1106.65
    1,2-dichlorobenzene 1452.2
    ethyl lactate 708.88
    propylene carbonate 2597.65
    n-methylformamide 2717.23
    2-pentanol 2893.1
    n-pentane 295.21
    1-propoxy-2-propanol 1974.38
    1-methoxy-2-propyl acetate 1753.47
    2-(2-methoxypropoxy) propanol 1005.19
    mesitylene 465.98
    ε-caprolactone 4244.99
    p-cymene 379.79
    epichlorohydrin 4556.32
    1,1,1-trichloroethane 3638.89
    2-aminoethanol 1447.77
    morpholine-4-carbaldehyde 3233.49
    sulfolane 4368.03
    2,2,4-trimethylpentane 229.25
    2-methyltetrahydrofuran 4506.39
    n-hexyl acetate 1937.62
    isooctane 153.38
    2-(2-butoxyethoxy)ethanol 1601.94
    sec-butyl acetate 1725.45
    tert-butyl acetate 2303.11
    decalin 254.21
    glycerin 1074.13
    diglyme 3016.14
    acrylic acid 2059.83
    isopropyl myristate 497.36
    n-butyric acid 5387.76
    acetyl acetate 1995.51
    di(2-ethylhexyl) phthalate 482.52
    ethyl propionate 1601.83
    nitromethane 6636.58
    1,2-diethoxyethane 2155.53
    benzonitrile 1692.88
    trioctyl phosphate 377.68
    1-bromopropane 2026.8
    gamma-valerolactone 5139.81
    n-decanol 459.54
    triethyl phosphate 488.32
    4-methyl-2-pentanol 1409.05
    propionitrile 2349.56
    vinylene carbonate 2165.62
    1,1,2-trichlorotrifluoroethane 3200.83
    DMS 1067.0
    cumene 438.14
    2-octanol 741.24
    2-hexanone 2175.86
    octyl acetate 668.83
    limonene 705.04
    1,2-dimethoxyethane 4096.02
    ethyl orthosilicate 531.63
    tributyl phosphate 535.21
    diacetone alcohol 2166.09
    N,N-dimethylaniline 765.37
    acrylonitrile 2223.31
    aniline 1461.04
    1,3-propanediol 2616.46
    bromobenzene 1632.47
    dibromomethane 3187.81
    1,1,2,2-tetrachloroethane 5380.45
    2-methyl-cyclohexyl acetate 1031.95
    tetrabutyl urea 582.37
    diisobutyl methanol 623.68
    2-phenylethanol 1056.57
    styrene 794.32
    dioctyl adipate 691.18
    dimethyl sulfate 1044.16
    ethyl butyrate 1491.89
    methyl lactate 831.06
    butyl lactate 1160.53
    diethyl carbonate 849.36
    propanediol butyl ether 1509.81
    triethyl orthoformate 920.88
    p-tert-butyltoluene 357.67
    methyl 4-tert-butylbenzoate 944.97
    morpholine 5587.98
    tert-butylamine 3715.96
    n-dodecanol 310.83
    dimethoxymethane 1936.74
    ethylene carbonate 2130.63
    cyrene 929.8
    2-ethoxyethyl acetate 1737.02
    2-ethylhexyl acetate 1757.31
    1,2,4-trichlorobenzene 1698.6
    4-methylpyridine 3137.3
    dibutyl ether 1095.34
    2,6-dimethyl-4-heptanol 623.68
    DEF 3100.98
    dimethyl isosorbide 1557.21
    tetrachloroethylene 3747.8
    eugenol 889.94
    triacetin 1229.29
    span 80 1000.77
    1,4-butanediol 1067.86
    1,1-dichloroethane 4023.0
    2-methyl-1-pentanol 2302.64
    methyl formate 1936.75
    2-methyl-1-butanol 3314.78
    n-decane 92.63
    butyronitrile 2986.71
    3,7-dimethyl-1-octanol 898.53
    1-chlorooctane 534.52
    1-chlorotetradecane 154.81
    n-nonane 92.92
    undecane 60.54
    tert-butylcyclohexane 229.7
    cyclooctane 140.73
    cyclopentanol 3033.12
    tetrahydropyran 5204.41
    tert-amyl methyl ether 2674.37
    2,5,8-trioxanonane 1493.12
    1-hexene 1351.87
    2-isopropoxyethanol 1830.73
    2,2,2-trifluoroethanol 1449.13
    methyl butyrate 2649.23

    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