4-Ethyl-2-methylhexane

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  • Identifiers

    CAS number
    3074-75-7

    Molecular formula
    C9H20

    SMILES
    CCC(CC)CC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fresh 41.27%
    Herbal 37.94%
    Sweet 36.64%
    Citrus 33.39%
    Gassy 30.7%
    Ethereal 28.75%
    Woody 28.14%
    Oily 27.34%
    Green 26.56%
    Mint 25.85%

     

    Flavor
    Fresh 29.02%
    Citrus 27.52%
    Alkane 27.41%
    Gasoline 25.31%
    Delicate 23.04%
    Leathery 22.98%
    Woody 22.69%
    Yeasty 22.52%
    Bloody 21.85%
    Glue 21.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    10.31 (weak base)

    Molecular weight
    128.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    132°C

    Flash point

    • 25.75 ˚C est.

  • Synonyms

    • 4-Ethyl-2-methylhexane
    • Hexane, 4-ethyl-2-methyl-
    • 2-METHYL-4-ETHYLHEXANE
    • Hexane, 3-ethyl-5-methyl
    • DTXSID70184765
    • RefChem:98863
    • DTXCID10107256
    • KYCZJIBOPKRSOV-UHFFFAOYSA-N
    • 4-Ethyl-2-methylhexane.
    • 3074-75-7
    • 4-ethyl-2-methyl-hexane
    • SCHEMBL59580
    • SCHEMBL597708
    • SCHEMBL1971833
    • SCHEMBL3632450
    • SCHEMBL4619281
    • SCHEMBL4620785
    • SCHEMBL4623187
    • SCHEMBL5985948
    • SCHEMBL9203043
    • EN300-23537634
    • Q5652273
    • Z3300757366
    • 3074-75-7

  • Applications

    4-Ethyl-2-methylhexane is a branched hydrocarbon primarily used as a non-polar solvent in industrial formulations. Common applications include: serving as a cleaning and degreasing solvent in finishing and assembly; acting as a diluent for paints, coatings, inks, and adhesives to improve solvency and control evaporation; functioning as a processing solvent in polymer and plastics manufacturing; as a chemical synthesis intermediate; and may be used as a laboratory solvent or reference standard depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 398.71
    methanol 182.41
    isopropanol 595.77
    water 0.02
    ethyl acetate 877.63
    n-propanol 581.13
    acetone 846.44
    n-butanol 868.96
    acetonitrile 391.36
    DMF 488.33
    toluene 890.54
    isobutanol 625.02
    1,4-dioxane 1468.91
    methyl acetate 660.68
    THF 3307.92
    2-butanone 1062.15
    n-pentanol 567.54
    sec-butanol 803.2
    n-hexane 2339.36
    ethylene glycol 27.14
    NMP 864.18
    cyclohexane 2164.92
    DMSO 507.07
    n-butyl acetate 2992.12
    n-octanol 848.6
    chloroform 1685.18
    n-propyl acetate 809.54
    acetic acid 202.55
    dichloromethane 1243.66
    cyclohexanone 1945.31
    propylene glycol 83.24
    isopropyl acetate 806.69
    DMAc 514.18
    2-ethoxyethanol 336.31
    isopentanol 983.17
    n-heptane 3215.41
    ethyl formate 342.03
    1,2-dichloroethane 1007.8
    n-hexanol 2066.24
    2-methoxyethanol 448.48
    isobutyl acetate 692.02
    tetrachloromethane 670.07
    n-pentyl acetate 986.73
    transcutol 1313.16
    n-heptanol 827.67
    ethylbenzene 556.91
    MIBK 861.64
    2-propoxyethanol 1302.43
    tert-butanol 1192.04
    MTBE 2273.9
    2-butoxyethanol 673.19
    propionic acid 289.73
    o-xylene 608.16
    formic acid 16.81
    diethyl ether 1780.34
    m-xylene 693.99
    p-xylene 687.48
    chlorobenzene 763.81
    dimethyl carbonate 144.0
    n-octane 842.95
    formamide 24.17
    cyclopentanone 1752.11
    2-pentanone 1122.74
    anisole 589.74
    cyclopentyl methyl ether 2195.57
    gamma-butyrolactone 1215.81
    1-methoxy-2-propanol 524.11
    pyridine 959.56
    3-pentanone 892.11
    furfural 725.11
    n-dodecane 408.18
    diethylene glycol 316.23
    diisopropyl ether 1091.6
    tert-amyl alcohol 1280.66
    acetylacetone 744.38
    n-hexadecane 476.6
    acetophenone 440.79
    methyl propionate 559.04
    isopentyl acetate 2400.38
    trichloroethylene 1357.01
    n-nonanol 755.71
    cyclohexanol 1242.94
    benzyl alcohol 286.94
    2-ethylhexanol 2281.39
    isooctanol 786.9
    dipropyl ether 3682.68
    1,2-dichlorobenzene 704.37
    ethyl lactate 215.26
    propylene carbonate 795.35
    n-methylformamide 157.22
    2-pentanol 896.33
    n-pentane 1326.25
    1-propoxy-2-propanol 1689.2
    1-methoxy-2-propyl acetate 1195.75
    2-(2-methoxypropoxy) propanol 550.3
    mesitylene 616.41
    ε-caprolactone 1385.87
    p-cymene 890.07
    epichlorohydrin 1316.67
    1,1,1-trichloroethane 1591.27
    2-aminoethanol 86.77
    morpholine-4-carbaldehyde 672.2
    sulfolane 1413.47
    2,2,4-trimethylpentane 667.34
    2-methyltetrahydrofuran 3108.14
    n-hexyl acetate 1355.67
    isooctane 634.96
    2-(2-butoxyethoxy)ethanol 717.39
    sec-butyl acetate 649.45
    tert-butyl acetate 1120.1
    decalin 900.47
    glycerin 87.54
    diglyme 1238.51
    acrylic acid 155.4
    isopropyl myristate 748.6
    n-butyric acid 735.43
    acetyl acetate 427.9
    di(2-ethylhexyl) phthalate 349.45
    ethyl propionate 663.54
    nitromethane 284.81
    1,2-diethoxyethane 1603.18
    benzonitrile 546.76
    trioctyl phosphate 397.66
    1-bromopropane 1742.47
    gamma-valerolactone 1320.62
    n-decanol 594.14
    triethyl phosphate 534.47
    4-methyl-2-pentanol 665.28
    propionitrile 659.78
    vinylene carbonate 485.06
    1,1,2-trichlorotrifluoroethane 560.31
    DMS 460.23
    cumene 463.75
    2-octanol 722.58
    2-hexanone 1101.6
    octyl acetate 746.31
    limonene 1985.49
    1,2-dimethoxyethane 1136.59
    ethyl orthosilicate 626.26
    tributyl phosphate 490.39
    diacetone alcohol 769.43
    N,N-dimethylaniline 470.21
    acrylonitrile 422.18
    aniline 511.2
    1,3-propanediol 214.71
    bromobenzene 1006.04
    dibromomethane 1345.49
    1,1,2,2-tetrachloroethane 1378.83
    2-methyl-cyclohexyl acetate 1188.53
    tetrabutyl urea 579.67
    diisobutyl methanol 1393.29
    2-phenylethanol 651.57
    styrene 595.58
    dioctyl adipate 630.5
    dimethyl sulfate 204.29
    ethyl butyrate 1569.95
    methyl lactate 171.54
    butyl lactate 531.33
    diethyl carbonate 773.65
    propanediol butyl ether 432.36
    triethyl orthoformate 1188.64
    p-tert-butyltoluene 929.65
    methyl 4-tert-butylbenzoate 583.82
    morpholine 1493.61
    tert-butylamine 1254.1
    n-dodecanol 512.45
    dimethoxymethane 533.25
    ethylene carbonate 506.86
    cyrene 348.26
    2-ethoxyethyl acetate 723.59
    2-ethylhexyl acetate 2289.88
    1,2,4-trichlorobenzene 716.95
    4-methylpyridine 1110.82
    dibutyl ether 2357.94
    2,6-dimethyl-4-heptanol 1393.29
    DEF 897.61
    dimethyl isosorbide 1102.2
    tetrachloroethylene 876.6
    eugenol 419.71
    triacetin 565.16
    span 80 668.53
    1,4-butanediol 87.28
    1,1-dichloroethane 1303.8
    2-methyl-1-pentanol 664.08
    methyl formate 134.59
    2-methyl-1-butanol 896.96
    n-decane 764.91
    butyronitrile 1047.64
    3,7-dimethyl-1-octanol 1145.33
    1-chlorooctane 1278.61
    1-chlorotetradecane 526.45
    n-nonane 929.4
    undecane 535.73
    tert-butylcyclohexane 927.59
    cyclooctane 1090.16
    cyclopentanol 991.76
    tetrahydropyran 2958.08
    tert-amyl methyl ether 1696.63
    2,5,8-trioxanonane 780.75
    1-hexene 2489.11
    2-isopropoxyethanol 372.24
    2,2,2-trifluoroethanol 48.53
    methyl butyrate 874.47

    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