2,2-Dimethylhexane

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  • Identifiers

    CAS number
    590-73-8

    Molecular formula
    C8H18

    SMILES
    CCCCC(C)(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Gassy 34.64%
    Camphoreous 34.14%
    Fresh 33.8%
    Ethereal 32.76%
    Sweet 32.64%
    Woody 29.65%
    Pine 25.52%
    Herbal 24.62%
    Mint 22.76%
    Citrus 22.59%

     

    Flavor
    Alkane 43.09%
    Gasoline 28.7%
    Pungent 25.99%
    Ethereal 23.08%
    Fishy 21.68%
    Rotten 21.05%
    Decomposing cabbage 19.58%
    Terpenic 19.57%
    Catty 19.35%
    Camphor 19.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    9.95 (weak base)

    Molecular weight
    114.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    107°C

    Flash point

    • 0.85 ˚C est.

  • Synonyms

    • 2,2-DIMETHYLHEXANE
    • 590-73-8
    • Hexane, 2,2-dimethyl-
    • TRIMETHYLPENTANE
    • G1EH35W01H
    • 2,2-dimethyl-hexane
    • EINECS 209-689-4
    • NSC 174065
    • NSC-174065
    • UNII-G1EH35W01H
    • DTXSID9073200
    • (CH3)3C(CH2)3CH3
    • 2,2-Dimethyl hexane
    • Hexane,2-dimethyl-
    • MFCD00009485
    • NSC174065
    • Hexane, 2,2dimethyl
    • 2,2-Dimethylhexane, 98%
    • DTXCID7042518
    • Hexane, 2,2-dimethyl-(8CI)
    • AKOS015841499
    • Hexane, 2,2-dimethyl-(8CI)(9CI)
    • DB-053315
    • D1224
    • NS00021233
    • D89814
    • Q2813766
    • 209-689-4

  • Applications

    2,2-Dimethylhexane (CAS 590-73-8) is a branched aliphatic hydrocarbon commonly used as a nonpolar solvent in industrial applications such as coatings, inks, and adhesives; it may also serve as a solvent in cleaning formulations, is a process solvent in plastics and polymer manufacturing, acts as an intermediate or feedstock for the synthesis of other organic compounds, and can be used as a component in hydrocarbon blends for fuels.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.62
    methanol 52.3
    isopropanol 104.7
    water 0.07
    ethyl acetate 169.7
    n-propanol 104.36
    acetone 117.62
    n-butanol 150.02
    acetonitrile 56.59
    DMF 116.84
    toluene 183.18
    isobutanol 111.99
    1,4-dioxane 227.97
    methyl acetate 130.64
    THF 478.08
    2-butanone 181.84
    n-pentanol 106.25
    sec-butanol 155.31
    n-hexane 454.2
    ethylene glycol 14.53
    NMP 232.83
    cyclohexane 375.03
    DMSO 88.77
    n-butyl acetate 453.49
    n-octanol 258.54
    chloroform 328.27
    n-propyl acetate 136.61
    acetic acid 53.08
    dichloromethane 184.33
    cyclohexanone 325.18
    propylene glycol 42.07
    isopropyl acetate 179.89
    DMAc 183.94
    2-ethoxyethanol 78.89
    isopentanol 170.3
    n-heptane 810.05
    ethyl formate 57.96
    1,2-dichloroethane 138.25
    n-hexanol 492.03
    2-methoxyethanol 104.61
    isobutyl acetate 152.95
    tetrachloromethane 122.56
    n-pentyl acetate 205.83
    transcutol 370.85
    n-heptanol 232.43
    ethylbenzene 147.96
    MIBK 195.43
    2-propoxyethanol 323.1
    tert-butanol 226.93
    MTBE 401.24
    2-butoxyethanol 178.42
    propionic acid 79.15
    o-xylene 178.6
    formic acid 7.75
    diethyl ether 261.34
    m-xylene 189.19
    p-xylene 192.41
    chlorobenzene 152.34
    dimethyl carbonate 52.1
    n-octane 227.17
    formamide 8.87
    cyclopentanone 320.15
    2-pentanone 201.42
    anisole 170.75
    cyclopentyl methyl ether 435.29
    gamma-butyrolactone 230.04
    1-methoxy-2-propanol 149.35
    pyridine 156.57
    3-pentanone 199.73
    furfural 162.81
    n-dodecane 147.41
    diethylene glycol 118.93
    diisopropyl ether 232.72
    tert-amyl alcohol 279.32
    acetylacetone 162.52
    n-hexadecane 161.01
    acetophenone 140.92
    methyl propionate 141.63
    isopentyl acetate 470.9
    trichloroethylene 240.87
    n-nonanol 242.98
    cyclohexanol 229.98
    benzyl alcohol 78.31
    2-ethylhexanol 557.18
    isooctanol 212.41
    dipropyl ether 722.39
    1,2-dichlorobenzene 165.24
    ethyl lactate 81.14
    propylene carbonate 170.19
    n-methylformamide 37.17
    2-pentanol 179.31
    n-pentane 251.6
    1-propoxy-2-propanol 463.37
    1-methoxy-2-propyl acetate 342.09
    2-(2-methoxypropoxy) propanol 283.24
    mesitylene 189.38
    ε-caprolactone 261.64
    p-cymene 294.46
    epichlorohydrin 200.03
    1,1,1-trichloroethane 279.53
    2-aminoethanol 36.09
    morpholine-4-carbaldehyde 184.01
    sulfolane 293.95
    2,2,4-trimethylpentane 205.31
    2-methyltetrahydrofuran 450.92
    n-hexyl acetate 360.93
    isooctane 190.55
    2-(2-butoxyethoxy)ethanol 277.44
    sec-butyl acetate 161.75
    tert-butyl acetate 293.77
    decalin 259.11
    glycerin 50.11
    diglyme 349.2
    acrylic acid 52.17
    isopropyl myristate 255.58
    n-butyric acid 143.48
    acetyl acetate 107.81
    di(2-ethylhexyl) phthalate 157.72
    ethyl propionate 154.28
    nitromethane 62.44
    1,2-diethoxyethane 271.54
    benzonitrile 109.97
    trioctyl phosphate 156.7
    1-bromopropane 239.72
    gamma-valerolactone 265.6
    n-decanol 207.7
    triethyl phosphate 194.78
    4-methyl-2-pentanol 173.91
    propionitrile 112.49
    vinylene carbonate 110.6
    1,1,2-trichlorotrifluoroethane 156.02
    DMS 161.06
    cumene 156.08
    2-octanol 189.74
    2-hexanone 192.93
    octyl acetate 256.15
    limonene 566.77
    1,2-dimethoxyethane 205.99
    ethyl orthosilicate 214.73
    tributyl phosphate 180.99
    diacetone alcohol 229.66
    N,N-dimethylaniline 171.61
    acrylonitrile 85.36
    aniline 118.46
    1,3-propanediol 55.63
    bromobenzene 195.45
    dibromomethane 196.49
    1,1,2,2-tetrachloroethane 284.66
    2-methyl-cyclohexyl acetate 377.58
    tetrabutyl urea 215.96
    diisobutyl methanol 404.03
    2-phenylethanol 197.77
    styrene 138.5
    dioctyl adipate 242.0
    dimethyl sulfate 76.17
    ethyl butyrate 325.3
    methyl lactate 75.65
    butyl lactate 164.63
    diethyl carbonate 193.25
    propanediol butyl ether 177.07
    triethyl orthoformate 316.55
    p-tert-butyltoluene 337.51
    methyl 4-tert-butylbenzoate 268.42
    morpholine 232.31
    tert-butylamine 241.58
    n-dodecanol 188.92
    dimethoxymethane 123.83
    ethylene carbonate 106.58
    cyrene 158.43
    2-ethoxyethyl acetate 167.03
    2-ethylhexyl acetate 463.19
    1,2,4-trichlorobenzene 195.81
    4-methylpyridine 190.24
    dibutyl ether 479.98
    2,6-dimethyl-4-heptanol 404.03
    DEF 188.72
    dimethyl isosorbide 447.4
    tetrachloroethylene 174.11
    eugenol 180.22
    triacetin 236.88
    span 80 322.3
    1,4-butanediol 26.43
    1,1-dichloroethane 198.46
    2-methyl-1-pentanol 139.3
    methyl formate 31.09
    2-methyl-1-butanol 163.17
    n-decane 223.63
    butyronitrile 137.26
    3,7-dimethyl-1-octanol 356.67
    1-chlorooctane 333.54
    1-chlorotetradecane 184.4
    n-nonane 255.51
    undecane 176.52
    tert-butylcyclohexane 294.2
    cyclooctane 270.51
    cyclopentanol 188.03
    tetrahydropyran 400.39
    tert-amyl methyl ether 414.54
    2,5,8-trioxanonane 305.44
    1-hexene 408.65
    2-isopropoxyethanol 98.05
    2,2,2-trifluoroethanol 19.67
    methyl butyrate 169.8

    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