2,3-Dimethylhexane

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  • Identifiers

    CAS number
    584-94-1

    Molecular formula
    C8H18

    SMILES
    CCCC(C)C(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fresh 42.62%
    Herbal 38.71%
    Gassy 35.17%
    Woody 32.28%
    Sweet 31.03%
    Ethereal 29.94%
    Citrus 29.8%
    Camphoreous 29.68%
    Pine 28.82%
    Mint 25.84%

     

    Flavor
    Alkane 35.51%
    Gasoline 27.72%
    Fresh 22.68%
    Fishy 21.8%
    Ammonia 21.42%
    Citrus 21.33%
    Leathery 20.68%
    Glue 20.67%
    Delicate 20.66%
    Rotten 20.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.11 (weak base)

    Molecular weight
    114.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    111°C

    Flash point

    • 8.9 ˚C est.

  • Synonyms

    • 2,3-DIMETHYLHEXANE
    • Hexane, 2,3-dimethyl-
    • EINECS 209-547-1
    • NSC 74170
    • 2,3dimethylhexane
    • Hexane, 2,3dimethyl
    • RefChem:442532
    • Hexane, 2,3-dimethyl-(8CI)
    • Hexane, 2,3-dimethyl-(8CI)(9CI)
    • 209-547-1
    • 584-94-1
    • xi-2,3-Dimethylhexane
    • MFCD00039951
    • NSC74170
    • 2,3-dimethyl-hexane
    • SCHEMBL55622
    • SCHEMBL56390
    • SCHEMBL82073
    • SCHEMBL82074
    • SCHEMBL99840
    • SCHEMBL198724
    • SCHEMBL497943
    • SCHEMBL773920
    • SCHEMBL987307
    • (+/-)-2,3-Dimethylhexane
    • SCHEMBL1402212
    • SCHEMBL1402304
    • SCHEMBL3412126
    • SCHEMBL5985217
    • SCHEMBL9829228
    • SCHEMBL9830546
    • SCHEMBL16583446
    • SCHEMBL17558044
    • SCHEMBL23069464
    • SCHEMBL23069465
    • DTXSID40862240
    • CHEBI:173398
    • NSC-74170
    • AKOS024420965
    • DB-053213
    • D1225
    • NS00043019
    • T71099
    • Q2813777
    • InChI=1/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H
    • 584-94-1

  • Applications

    2,3-Dimethylhexane is a branched, nonpolar hydrocarbon that mainly serves as a solvent in industrial applications. It is used as a diluent and carrier solvent in coatings and inks, supporting formulation and processing; it functions as a processing solvent in plastics and rubber formulations and in related polymer manufacturing; it is employed as a cleaning and degreasing solvent in industrial maintenance and metalworking; it can act as a feedstock or intermediate in petrochemical processing to produce other hydrocarbons or solvent blends; and it may appear as a component in hydrocarbon solvent blends used for cleaning, degreasing, and formulation applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 348.13
    methanol 156.32
    isopropanol 467.34
    water 0.03
    ethyl acetate 699.71
    n-propanol 468.24
    acetone 482.89
    n-butanol 654.93
    acetonitrile 306.91
    DMF 269.41
    toluene 599.87
    isobutanol 444.23
    1,4-dioxane 1075.03
    methyl acetate 497.04
    THF 2155.53
    2-butanone 735.63
    n-pentanol 460.16
    sec-butanol 651.0
    n-hexane 1445.8
    ethylene glycol 21.39
    NMP 469.52
    cyclohexane 1234.64
    DMSO 297.14
    n-butyl acetate 2335.08
    n-octanol 611.06
    chloroform 1275.36
    n-propyl acetate 630.66
    acetic acid 144.34
    dichloromethane 899.83
    cyclohexanone 1220.48
    propylene glycol 67.31
    isopropyl acetate 587.95
    DMAc 322.03
    2-ethoxyethanol 287.82
    isopentanol 727.59
    n-heptane 2072.55
    ethyl formate 265.84
    1,2-dichloroethane 672.73
    n-hexanol 1661.56
    2-methoxyethanol 351.82
    isobutyl acetate 508.87
    tetrachloromethane 522.09
    n-pentyl acetate 704.01
    transcutol 1245.0
    n-heptanol 640.97
    ethylbenzene 396.26
    MIBK 585.93
    2-propoxyethanol 1056.29
    tert-butanol 920.16
    MTBE 1623.7
    2-butoxyethanol 566.49
    propionic acid 219.08
    o-xylene 409.42
    formic acid 14.96
    diethyl ether 1374.57
    m-xylene 465.33
    p-xylene 471.3
    chlorobenzene 516.43
    dimethyl carbonate 88.31
    n-octane 537.82
    formamide 21.66
    cyclopentanone 1030.37
    2-pentanone 732.68
    anisole 434.83
    cyclopentyl methyl ether 1334.64
    gamma-butyrolactone 712.67
    1-methoxy-2-propanol 415.46
    pyridine 715.25
    3-pentanone 594.98
    furfural 479.11
    n-dodecane 263.42
    diethylene glycol 261.21
    diisopropyl ether 731.25
    tert-amyl alcohol 997.93
    acetylacetone 465.6
    n-hexadecane 298.97
    acetophenone 312.28
    methyl propionate 397.98
    isopentyl acetate 1779.96
    trichloroethylene 924.9
    n-nonanol 563.77
    cyclohexanol 823.92
    benzyl alcohol 223.91
    2-ethylhexanol 1681.19
    isooctanol 583.92
    dipropyl ether 2546.82
    1,2-dichlorobenzene 470.93
    ethyl lactate 165.85
    propylene carbonate 507.53
    n-methylformamide 103.4
    2-pentanol 676.85
    n-pentane 870.22
    1-propoxy-2-propanol 1381.11
    1-methoxy-2-propyl acetate 885.33
    2-(2-methoxypropoxy) propanol 464.71
    mesitylene 376.69
    ε-caprolactone 978.84
    p-cymene 624.37
    epichlorohydrin 901.35
    1,1,1-trichloroethane 1083.78
    2-aminoethanol 74.86
    morpholine-4-carbaldehyde 474.56
    sulfolane 737.3
    2,2,4-trimethylpentane 429.98
    2-methyltetrahydrofuran 2049.45
    n-hexyl acetate 937.27
    isooctane 416.22
    2-(2-butoxyethoxy)ethanol 650.44
    sec-butyl acetate 508.39
    tert-butyl acetate 746.39
    decalin 540.69
    glycerin 69.41
    diglyme 1011.31
    acrylic acid 111.9
    isopropyl myristate 506.7
    n-butyric acid 564.18
    acetyl acetate 308.71
    di(2-ethylhexyl) phthalate 248.56
    ethyl propionate 509.67
    nitromethane 200.83
    1,2-diethoxyethane 1277.52
    benzonitrile 413.7
    trioctyl phosphate 269.75
    1-bromopropane 1191.76
    gamma-valerolactone 861.78
    n-decanol 454.72
    triethyl phosphate 393.06
    4-methyl-2-pentanol 525.15
    propionitrile 513.91
    vinylene carbonate 324.5
    1,1,2-trichlorotrifluoroethane 381.44
    DMS 294.92
    cumene 327.08
    2-octanol 515.18
    2-hexanone 777.87
    octyl acetate 529.19
    limonene 1299.51
    1,2-dimethoxyethane 860.51
    ethyl orthosilicate 471.0
    tributyl phosphate 333.75
    diacetone alcohol 550.16
    N,N-dimethylaniline 324.34
    acrylonitrile 331.26
    aniline 382.87
    1,3-propanediol 172.11
    bromobenzene 655.87
    dibromomethane 952.2
    1,1,2,2-tetrachloroethane 926.77
    2-methyl-cyclohexyl acetate 835.59
    tetrabutyl urea 377.13
    diisobutyl methanol 990.4
    2-phenylethanol 522.74
    styrene 412.69
    dioctyl adipate 426.94
    dimethyl sulfate 118.76
    ethyl butyrate 1275.54
    methyl lactate 113.53
    butyl lactate 397.62
    diethyl carbonate 622.19
    propanediol butyl ether 341.92
    triethyl orthoformate 940.75
    p-tert-butyltoluene 625.01
    methyl 4-tert-butylbenzoate 395.42
    morpholine 1132.08
    tert-butylamine 999.6
    n-dodecanol 382.09
    dimethoxymethane 336.04
    ethylene carbonate 350.22
    cyrene 248.61
    2-ethoxyethyl acetate 551.36
    2-ethylhexyl acetate 1695.91
    1,2,4-trichlorobenzene 490.64
    4-methylpyridine 798.11
    dibutyl ether 1621.16
    2,6-dimethyl-4-heptanol 990.4
    DEF 615.92
    dimethyl isosorbide 780.91
    tetrachloroethylene 602.63
    eugenol 315.29
    triacetin 405.27
    span 80 537.12
    1,4-butanediol 66.92
    1,1-dichloroethane 920.56
    2-methyl-1-pentanol 555.37
    methyl formate 81.74
    2-methyl-1-butanol 662.49
    n-decane 490.96
    butyronitrile 777.65
    3,7-dimethyl-1-octanol 853.46
    1-chlorooctane 838.92
    1-chlorotetradecane 339.33
    n-nonane 580.41
    undecane 341.55
    tert-butylcyclohexane 575.64
    cyclooctane 628.66
    cyclopentanol 615.63
    tetrahydropyran 2051.4
    tert-amyl methyl ether 1188.66
    2,5,8-trioxanonane 624.47
    1-hexene 1715.31
    2-isopropoxyethanol 323.9
    2,2,2-trifluoroethanol 35.54
    methyl butyrate 658.99

    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