2,5-Dimethylhexane

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  • Identifiers

    CAS number
    592-13-2

    Molecular formula
    C8H18

    SMILES
    CC(C)CCC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fresh 44.57%
    Herbal 41.78%
    Sweet 36.45%
    Gassy 34.29%
    Woody 34.12%
    Ethereal 33.6%
    Camphoreous 33.43%
    Mint 32.31%
    Pine 29.38%
    Green 28.11%

     

    Flavor
    Alkane 26.73%
    Gasoline 25.88%
    Fishy 25.43%
    Ammonia 23.31%
    Ammoniacal 21.8%
    Glue 21.2%
    Yeasty 21.17%
    Leathery 20.87%
    Delicate 20.74%
    Solvent 20.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.26 (weak base)

    Molecular weight
    114.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    108°C

    Flash point

    • 5.89 ˚C est.

  • Synonyms

    • 2,5-DIMETHYLHEXANE
    • 592-13-2
    • Biisobutyl
    • Hexane, 2,5-dimethyl-
    • PCS13D63P8
    • NSC-74172
    • DTXSID4073201
    • RefChem:82959
    • DTXCID7042564
    • 209-745-8
    • 2,5-DIMETHYL HEXANE
    • MFCD00008951
    • Diisobutyl
    • NSC74172
    • EINECS 209-745-8
    • Hexane,5-dimethyl-
    • NSC 74172
    • 2,5-dimethyl-hexane
    • UNII-PCS13D63P8
    • SCHEMBL26458
    • SCHEMBL57015
    • SCHEMBL79844
    • SCHEMBL83492
    • SCHEMBL83493
    • 2,5-Dimethylhexane, 99%
    • SCHEMBL129819
    • SCHEMBL7617473
    • SCHEMBL10895582
    • SCHEMBL16469013
    • SCHEMBL16964895
    • SCHEMBL17558050
    • SCHEMBL23069500
    • SCHEMBL23069503
    • SCHEMBL23069509
    • SCHEMBL28057845
    • AKOS015841746
    • AS-81291
    • DB-053340
    • D1226
    • NS00034107
    • D89815
    • Q2813798
    • InChI=1/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H
    • 592-13-2

  • Applications

    2,5-Dimethylhexane (CAS 592-13-2) is a nonpolar branched aliphatic hydrocarbon commonly used as a solvent and processing aid across a range of industries. Practical applications include: serving as a cleaning and degreasing solvent in industrial formulations; a solvent component in paints, coatings, and inks for dissolving binders and resins; a processing solvent in polymer and plastics manufacturing as a diluent or swelling agent for certain polymers; a blending component in gasoline and other fuel formulations; a carrier solvent in adhesive and sealant formulations; and it may be used as a laboratory solvent or analytical reference, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.21
    methanol 23.01
    isopropanol 75.87
    water 0.02
    ethyl acetate 134.48
    n-propanol 73.96
    acetone 113.07
    n-butanol 106.96
    acetonitrile 44.47
    DMF 98.66
    toluene 150.49
    isobutanol 83.38
    1,4-dioxane 191.02
    methyl acetate 110.31
    THF 492.74
    2-butanone 170.0
    n-pentanol 76.64
    sec-butanol 115.9
    n-hexane 319.1
    ethylene glycol 7.27
    NMP 207.4
    cyclohexane 308.36
    DMSO 85.4
    n-butyl acetate 391.8
    n-octanol 166.34
    chloroform 339.08
    n-propyl acetate 123.12
    acetic acid 36.46
    dichloromethane 198.31
    cyclohexanone 309.47
    propylene glycol 24.87
    isopropyl acetate 141.59
    DMAc 146.04
    2-ethoxyethanol 57.81
    isopentanol 124.83
    n-heptane 612.61
    ethyl formate 49.12
    1,2-dichloroethane 150.88
    n-hexanol 299.07
    2-methoxyethanol 68.65
    isobutyl acetate 133.89
    tetrachloromethane 113.0
    n-pentyl acetate 170.87
    transcutol 270.18
    n-heptanol 143.88
    ethylbenzene 130.0
    MIBK 160.77
    2-propoxyethanol 217.2
    tert-butanol 166.03
    MTBE 313.88
    2-butoxyethanol 126.44
    propionic acid 57.08
    o-xylene 142.22
    formic acid 3.74
    diethyl ether 191.38
    m-xylene 145.94
    p-xylene 170.19
    chlorobenzene 151.21
    dimethyl carbonate 38.74
    n-octane 167.32
    formamide 5.26
    cyclopentanone 344.6
    2-pentanone 171.71
    anisole 143.88
    cyclopentyl methyl ether 359.43
    gamma-butyrolactone 238.97
    1-methoxy-2-propanol 106.72
    pyridine 157.15
    3-pentanone 162.19
    furfural 161.77
    n-dodecane 105.82
    diethylene glycol 71.48
    diisopropyl ether 167.51
    tert-amyl alcohol 204.54
    acetylacetone 154.69
    n-hexadecane 118.14
    acetophenone 125.92
    methyl propionate 108.16
    isopentyl acetate 393.46
    trichloroethylene 269.52
    n-nonanol 159.88
    cyclohexanol 175.04
    benzyl alcohol 67.92
    2-ethylhexanol 378.26
    isooctanol 145.09
    dipropyl ether 582.85
    1,2-dichlorobenzene 156.66
    ethyl lactate 61.05
    propylene carbonate 170.31
    n-methylformamide 27.08
    2-pentanol 124.21
    n-pentane 172.39
    1-propoxy-2-propanol 320.63
    1-methoxy-2-propyl acetate 265.36
    2-(2-methoxypropoxy) propanol 192.96
    mesitylene 144.13
    ε-caprolactone 239.94
    p-cymene 235.95
    epichlorohydrin 209.95
    1,1,1-trichloroethane 298.97
    2-aminoethanol 19.28
    morpholine-4-carbaldehyde 148.83
    sulfolane 317.78
    2,2,4-trimethylpentane 135.81
    2-methyltetrahydrofuran 432.41
    n-hexyl acetate 280.72
    isooctane 131.17
    2-(2-butoxyethoxy)ethanol 194.92
    sec-butyl acetate 135.04
    tert-butyl acetate 235.06
    decalin 195.76
    glycerin 27.33
    diglyme 273.43
    acrylic acid 39.72
    isopropyl myristate 204.24
    n-butyric acid 112.64
    acetyl acetate 92.99
    di(2-ethylhexyl) phthalate 118.14
    ethyl propionate 129.56
    nitromethane 51.23
    1,2-diethoxyethane 226.52
    benzonitrile 104.34
    trioctyl phosphate 120.35
    1-bromopropane 237.9
    gamma-valerolactone 240.14
    n-decanol 137.31
    triethyl phosphate 167.54
    4-methyl-2-pentanol 114.94
    propionitrile 94.23
    vinylene carbonate 100.24
    1,1,2-trichlorotrifluoroethane 138.57
    DMS 128.33
    cumene 131.72
    2-octanol 129.79
    2-hexanone 180.23
    octyl acetate 198.15
    limonene 430.3
    1,2-dimethoxyethane 174.76
    ethyl orthosilicate 178.68
    tributyl phosphate 142.07
    diacetone alcohol 184.91
    N,N-dimethylaniline 137.44
    acrylonitrile 73.03
    aniline 97.45
    1,3-propanediol 35.79
    bromobenzene 200.07
    dibromomethane 208.78
    1,1,2,2-tetrachloroethane 304.31
    2-methyl-cyclohexyl acetate 308.48
    tetrabutyl urea 181.52
    diisobutyl methanol 292.56
    2-phenylethanol 151.5
    styrene 124.64
    dioctyl adipate 204.49
    dimethyl sulfate 64.6
    ethyl butyrate 281.74
    methyl lactate 52.93
    butyl lactate 136.13
    diethyl carbonate 169.7
    propanediol butyl ether 116.82
    triethyl orthoformate 258.62
    p-tert-butyltoluene 262.31
    methyl 4-tert-butylbenzoate 198.1
    morpholine 197.05
    tert-butylamine 169.07
    n-dodecanol 128.11
    dimethoxymethane 92.94
    ethylene carbonate 95.47
    cyrene 125.75
    2-ethoxyethyl acetate 140.37
    2-ethylhexyl acetate 382.65
    1,2,4-trichlorobenzene 187.45
    4-methylpyridine 184.01
    dibutyl ether 394.62
    2,6-dimethyl-4-heptanol 292.56
    DEF 151.56
    dimethyl isosorbide 371.91
    tetrachloroethylene 176.15
    eugenol 139.94
    triacetin 188.58
    span 80 229.32
    1,4-butanediol 17.73
    1,1-dichloroethane 212.07
    2-methyl-1-pentanol 102.67
    methyl formate 24.51
    2-methyl-1-butanol 119.93
    n-decane 167.04
    butyronitrile 120.89
    3,7-dimethyl-1-octanol 239.07
    1-chlorooctane 257.26
    1-chlorotetradecane 145.2
    n-nonane 189.63
    undecane 127.11
    tert-butylcyclohexane 216.5
    cyclooctane 202.78
    cyclopentanol 161.13
    tetrahydropyran 368.05
    tert-amyl methyl ether 294.53
    2,5,8-trioxanonane 232.66
    1-hexene 329.52
    2-isopropoxyethanol 73.71
    2,2,2-trifluoroethanol 13.44
    methyl butyrate 154.6

    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