Hexane, 4-ethyl-2,2-dimethyl-

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  • Identifiers

    CAS number
    52896-99-8

    Molecular formula
    C10H22

    SMILES
    CCC(CC)CC(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 39.52%
    Herbal 34.85%
    Fresh 33.83%
    Citrus 30.1%
    Camphoreous 29.55%
    Oily 27.8%
    Pine 27.57%
    Waxy 26.48%
    Green 25.95%
    Spicy 24.95%

     

    Flavor
    Alkane 29.16%
    Woody 24.74%
    Gasoline 24.21%
    Mild 21.88%
    Delicate 21.17%
    Leathery 21.07%
    Yeasty 20.93%
    Fresh 20.82%
    Citrus 20.32%
    Bloody 20.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    10.21 (weak base)

    Molecular weight
    142.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    148°C

    Flash point

    • 31.63 ˚C est.

  • Synonyms

    • Hexane, 4-ethyl-2,2-dimethyl-
    • 52896-99-8
    • DTXSID30200935
    • RefChem:1086580
    • DTXCID60123426
    • 4-Ethyl-2,2-dimethylhexane
    • 2,2-dimethyl-4-ethylhexane
    • SCHEMBL463159
    • SCHEMBL506180
    • SCHEMBL898817
    • SCHEMBL4420858
    • SCHEMBL4899382
    • SCHEMBL17607413
    • Q5652265
    • 52896-99-8

  • Applications

    Hexane, 4-ethyl-2,2-dimethyl- (CAS 52896-99-8) is a nonpolar hydrocarbon solvent commonly used as a solvent and diluent in a range of industrial formulations. Typical applications include serving as a solvent for coatings, inks, and adhesives; acting as a cleaning and degreasing solvent in industrial maintenance; functioning as a solvent or processing diluent in polymer and plastics processing; used in electronics manufacturing for surface cleaning and residue removal; and as a component in solvent blends for paints and adhesive systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 120.12
    methanol 69.97
    isopropanol 189.04
    water 0.04
    ethyl acetate 383.41
    n-propanol 193.58
    acetone 298.56
    n-butanol 284.65
    acetonitrile 116.9
    DMF 267.12
    toluene 516.18
    isobutanol 239.27
    1,4-dioxane 555.4
    methyl acetate 289.84
    THF 1298.96
    2-butanone 432.79
    n-pentanol 211.05
    sec-butanol 287.26
    n-hexane 1103.64
    ethylene glycol 16.03
    NMP 559.63
    cyclohexane 1103.19
    DMSO 185.37
    n-butyl acetate 1115.94
    n-octanol 515.56
    chloroform 700.38
    n-propyl acetate 330.02
    acetic acid 80.3
    dichloromethane 443.12
    cyclohexanone 939.77
    propylene glycol 48.08
    isopropyl acetate 436.47
    DMAc 395.07
    2-ethoxyethanol 137.03
    isopentanol 373.69
    n-heptane 1812.21
    ethyl formate 133.99
    1,2-dichloroethane 380.89
    n-hexanol 956.41
    2-methoxyethanol 176.81
    isobutyl acetate 397.76
    tetrachloromethane 279.08
    n-pentyl acetate 502.46
    transcutol 635.14
    n-heptanol 446.3
    ethylbenzene 401.26
    MIBK 504.14
    2-propoxyethanol 579.28
    tert-butanol 445.34
    MTBE 1004.97
    2-butoxyethanol 324.16
    propionic acid 132.69
    o-xylene 462.83
    formic acid 8.93
    diethyl ether 623.84
    m-xylene 523.0
    p-xylene 511.27
    chlorobenzene 421.07
    dimethyl carbonate 118.31
    n-octane 521.41
    formamide 11.9
    cyclopentanone 853.57
    2-pentanone 497.88
    anisole 395.96
    cyclopentyl methyl ether 1198.73
    gamma-butyrolactone 573.7
    1-methoxy-2-propanol 257.96
    pyridine 361.77
    3-pentanone 487.69
    furfural 372.64
    n-dodecane 331.45
    diethylene glycol 170.39
    diisopropyl ether 608.92
    tert-amyl alcohol 547.96
    acetylacetone 393.92
    n-hexadecane 378.92
    acetophenone 331.49
    methyl propionate 326.97
    isopentyl acetate 1209.66
    trichloroethylene 621.31
    n-nonanol 486.66
    cyclohexanol 585.6
    benzyl alcohol 159.06
    2-ethylhexanol 1156.86
    isooctanol 456.64
    dipropyl ether 1634.33
    1,2-dichlorobenzene 440.59
    ethyl lactate 153.0
    propylene carbonate 432.28
    n-methylformamide 76.28
    2-pentanol 346.36
    n-pentane 591.82
    1-propoxy-2-propanol 811.48
    1-methoxy-2-propyl acetate 781.03
    2-(2-methoxypropoxy) propanol 469.56
    mesitylene 523.23
    ε-caprolactone 699.03
    p-cymene 700.56
    epichlorohydrin 543.83
    1,1,1-trichloroethane 706.33
    2-aminoethanol 43.41
    morpholine-4-carbaldehyde 411.01
    sulfolane 774.84
    2,2,4-trimethylpentane 516.71
    2-methyltetrahydrofuran 1237.58
    n-hexyl acetate 853.27
    isooctane 484.99
    2-(2-butoxyethoxy)ethanol 453.88
    sec-butyl acetate 389.69
    tert-butyl acetate 720.47
    decalin 708.3
    glycerin 56.16
    diglyme 696.68
    acrylic acid 82.52
    isopropyl myristate 617.02
    n-butyric acid 276.4
    acetyl acetate 240.73
    di(2-ethylhexyl) phthalate 324.17
    ethyl propionate 364.33
    nitromethane 121.67
    1,2-diethoxyethane 641.56
    benzonitrile 260.77
    trioctyl phosphate 344.07
    1-bromopropane 628.36
    gamma-valerolactone 666.12
    n-decanol 416.73
    triethyl phosphate 410.14
    4-methyl-2-pentanol 368.05
    propionitrile 236.16
    vinylene carbonate 267.34
    1,1,2-trichlorotrifluoroethane 298.95
    DMS 385.5
    cumene 395.53
    2-octanol 410.63
    2-hexanone 477.49
    octyl acetate 594.13
    limonene 1389.87
    1,2-dimethoxyethane 452.59
    ethyl orthosilicate 451.37
    tributyl phosphate 405.95
    diacetone alcohol 495.57
    N,N-dimethylaniline 390.47
    acrylonitrile 164.19
    aniline 252.28
    1,3-propanediol 80.4
    bromobenzene 571.99
    dibromomethane 469.96
    1,1,2,2-tetrachloroethane 707.89
    2-methyl-cyclohexyl acetate 894.07
    tetrabutyl urea 499.04
    diisobutyl methanol 862.55
    2-phenylethanol 401.31
    styrene 360.55
    dioctyl adipate 540.62
    dimethyl sulfate 176.66
    ethyl butyrate 747.36
    methyl lactate 132.27
    butyl lactate 339.45
    diethyl carbonate 433.35
    propanediol butyl ether 293.11
    triethyl orthoformate 713.71
    p-tert-butyltoluene 800.26
    methyl 4-tert-butylbenzoate 554.21
    morpholine 523.59
    tert-butylamine 497.84
    n-dodecanol 376.93
    dimethoxymethane 291.34
    ethylene carbonate 273.61
    cyrene 297.93
    2-ethoxyethyl acetate 372.41
    2-ethylhexyl acetate 1207.62
    1,2,4-trichlorobenzene 490.48
    4-methylpyridine 487.21
    dibutyl ether 1206.25
    2,6-dimethyl-4-heptanol 862.55
    DEF 448.9
    dimethyl isosorbide 894.37
    tetrachloroethylene 409.16
    eugenol 334.63
    triacetin 493.24
    span 80 519.56
    1,4-butanediol 41.98
    1,1-dichloroethane 487.9
    2-methyl-1-pentanol 292.96
    methyl formate 69.24
    2-methyl-1-butanol 355.45
    n-decane 521.97
    butyronitrile 326.21
    3,7-dimethyl-1-octanol 768.47
    1-chlorooctane 800.1
    1-chlorotetradecane 429.35
    n-nonane 602.19
    undecane 400.04
    tert-butylcyclohexane 803.41
    cyclooctane 777.94
    cyclopentanol 445.36
    tetrahydropyran 1084.06
    tert-amyl methyl ether 974.91
    2,5,8-trioxanonane 533.03
    1-hexene 983.15
    2-isopropoxyethanol 179.61
    2,2,2-trifluoroethanol 29.54
    methyl butyrate 418.77

    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