2,4-Dimethylhexane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    589-43-5

    Molecular formula
    C8H18

    SMILES
    CCC(C)CC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fresh 45.85%
    Herbal 43.32%
    Sweet 35.15%
    Gassy 34.38%
    Ethereal 33.42%
    Citrus 32.56%
    Green 31.05%
    Woody 30.72%
    Mint 29.84%
    Camphoreous 29.56%

     

    Flavor
    Fresh 25.48%
    Gasoline 25.04%
    Fishy 24.15%
    Alkane 23.6%
    Citrus 23.25%
    Ammonia 22.78%
    Yeasty 22.56%
    Leathery 22.13%
    Delicate 22.02%
    Glue 21.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.15 (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

    • 6.43 ˚C est.

  • Synonyms

    • 2,4-DIMETHYLHEXANE
    • 589-43-5
    • Hexane, 2,4-dimethyl-
    • C8-9 isoparaffin
    • 2,4-dimethyl-hexane
    • EINECS 292-458-5
    • UNII-3SN75WMJ83
    • 3SN75WMJ83
    • 9A9NBD65O2
    • NSC-74171
    • 90622-56-3
    • 2,4-Dimethyl hexane
    • NSC74171
    • EINECS 209-649-6
    • MFCD00039929
    • NSC 74171
    • 2-methyl-4-ethyl-pentane
    • UNII-9A9NBD65O2
    • 2,4-Dimethylhexane, 99%
    • (+/-)-2,4-dimethyl hexane
    • DTXSID60873237
    • CHEBI:141561
    • (+/-)-2,4-DIMETHYLHEXANE
    • AKOS015841728
    • DB-053290
    • D1110
    • NS00021231
    • D89783
    • Q2813785
    • InChI=1/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H
    • 116502-44-4

  • Applications

    2,4-Dimethylhexane, CAS 589-43-5, is a branched, nonpolar hydrocarbon commonly used as a solvent in industrial settings. It may serve as a nonpolar solvent for cleaning and degreasing equipment and surfaces; as a diluent or solvent in coatings, paints, and inks; as a processing solvent in polymer and plastics manufacturing; as a component or processing solvent in adhesive and sealant formulations; and as a blending component in hydrocarbon fuels such as gasoline. Its exact applications depend on formulation needs and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 555.73
    methanol 307.25
    isopropanol 694.9
    water 0.05
    ethyl acetate 832.02
    n-propanol 696.08
    acetone 731.64
    n-butanol 1031.58
    acetonitrile 385.43
    DMF 379.46
    toluene 709.19
    isobutanol 700.56
    1,4-dioxane 1295.81
    methyl acetate 587.78
    THF 2762.92
    2-butanone 906.71
    n-pentanol 636.41
    sec-butanol 913.4
    n-hexane 2395.86
    ethylene glycol 39.74
    NMP 668.59
    cyclohexane 1910.43
    DMSO 434.62
    n-butyl acetate 2528.95
    n-octanol 861.68
    chloroform 1292.58
    n-propyl acetate 703.75
    acetic acid 246.47
    dichloromethane 943.75
    cyclohexanone 1547.73
    propylene glycol 109.61
    isopropyl acetate 743.65
    DMAc 419.82
    2-ethoxyethanol 367.62
    isopentanol 1071.16
    n-heptane 3255.97
    ethyl formate 323.52
    1,2-dichloroethane 727.61
    n-hexanol 2481.73
    2-methoxyethanol 514.33
    isobutyl acetate 598.46
    tetrachloromethane 540.04
    n-pentyl acetate 823.77
    transcutol 1337.66
    n-heptanol 871.87
    ethylbenzene 449.55
    MIBK 756.07
    2-propoxyethanol 1482.93
    tert-butanol 1300.44
    MTBE 2120.95
    2-butoxyethanol 708.44
    propionic acid 320.09
    o-xylene 485.11
    formic acid 26.41
    diethyl ether 1733.04
    m-xylene 582.03
    p-xylene 543.07
    chlorobenzene 553.41
    dimethyl carbonate 116.55
    n-octane 785.08
    formamide 30.17
    cyclopentanone 1332.74
    2-pentanone 959.13
    anisole 471.1
    cyclopentyl methyl ether 1889.4
    gamma-butyrolactone 913.43
    1-methoxy-2-propanol 576.35
    pyridine 743.71
    3-pentanone 774.57
    furfural 546.59
    n-dodecane 379.76
    diethylene glycol 379.82
    diisopropyl ether 1035.8
    tert-amyl alcohol 1327.7
    acetylacetone 588.55
    n-hexadecane 429.38
    acetophenone 335.83
    methyl propionate 499.63
    isopentyl acetate 2158.13
    trichloroethylene 920.0
    n-nonanol 766.39
    cyclohexanol 1205.34
    benzyl alcohol 250.74
    2-ethylhexanol 2401.94
    isooctanol 788.57
    dipropyl ether 3357.96
    1,2-dichlorobenzene 485.47
    ethyl lactate 195.44
    propylene carbonate 599.06
    n-methylformamide 151.97
    2-pentanol 988.89
    n-pentane 1409.38
    1-propoxy-2-propanol 1857.69
    1-methoxy-2-propyl acetate 1103.19
    2-(2-methoxypropoxy) propanol 560.06
    mesitylene 499.21
    ε-caprolactone 1138.43
    p-cymene 761.36
    epichlorohydrin 988.49
    1,1,1-trichloroethane 1137.63
    2-aminoethanol 126.35
    morpholine-4-carbaldehyde 574.38
    sulfolane 1003.61
    2,2,4-trimethylpentane 679.85
    2-methyltetrahydrofuran 2686.8
    n-hexyl acetate 1188.21
    isooctane 641.52
    2-(2-butoxyethoxy)ethanol 743.53
    sec-butyl acetate 581.91
    tert-butyl acetate 1004.53
    decalin 773.79
    glycerin 113.52
    diglyme 1127.31
    acrylic acid 164.1
    isopropyl myristate 641.25
    n-butyric acid 760.38
    acetyl acetate 375.57
    di(2-ethylhexyl) phthalate 318.53
    ethyl propionate 566.37
    nitromethane 272.16
    1,2-diethoxyethane 1406.41
    benzonitrile 417.62
    trioctyl phosphate 361.3
    1-bromopropane 1398.41
    gamma-valerolactone 1044.47
    n-decanol 617.65
    triethyl phosphate 446.83
    4-methyl-2-pentanol 730.7
    propionitrile 604.07
    vinylene carbonate 358.79
    1,1,2-trichlorotrifluoroethane 455.01
    DMS 359.45
    cumene 379.35
    2-octanol 702.28
    2-hexanone 955.74
    octyl acetate 656.22
    limonene 1754.2
    1,2-dimethoxyethane 1020.22
    ethyl orthosilicate 559.32
    tributyl phosphate 435.59
    diacetone alcohol 743.31
    N,N-dimethylaniline 374.26
    acrylonitrile 372.89
    aniline 445.08
    1,3-propanediol 271.0
    bromobenzene 686.45
    dibromomethane 1047.91
    1,1,2,2-tetrachloroethane 952.46
    2-methyl-cyclohexyl acetate 1030.97
    tetrabutyl urea 503.54
    diisobutyl methanol 1349.32
    2-phenylethanol 624.97
    styrene 452.82
    dioctyl adipate 530.5
    dimethyl sulfate 148.33
    ethyl butyrate 1382.76
    methyl lactate 156.71
    butyl lactate 475.93
    diethyl carbonate 641.73
    propanediol butyl ether 472.19
    triethyl orthoformate 1051.69
    p-tert-butyltoluene 800.44
    methyl 4-tert-butylbenzoate 484.02
    morpholine 1364.75
    tert-butylamine 1378.48
    n-dodecanol 525.94
    dimethoxymethane 456.18
    ethylene carbonate 390.89
    cyrene 303.26
    2-ethoxyethyl acetate 617.61
    2-ethylhexyl acetate 2010.94
    1,2,4-trichlorobenzene 508.83
    4-methylpyridine 855.0
    dibutyl ether 2074.68
    2,6-dimethyl-4-heptanol 1349.32
    DEF 757.71
    dimethyl isosorbide 918.97
    tetrachloroethylene 626.02
    eugenol 364.1
    triacetin 490.07
    span 80 680.65
    1,4-butanediol 106.67
    1,1-dichloroethane 985.33
    2-methyl-1-pentanol 710.95
    methyl formate 118.71
    2-methyl-1-butanol 988.61
    n-decane 704.2
    butyronitrile 975.41
    3,7-dimethyl-1-octanol 1161.44
    1-chlorooctane 1115.23
    1-chlorotetradecane 466.14
    n-nonane 855.03
    undecane 496.69
    tert-butylcyclohexane 850.73
    cyclooctane 980.36
    cyclopentanol 904.59
    tetrahydropyran 2535.34
    tert-amyl methyl ether 1617.99
    2,5,8-trioxanonane 739.51
    1-hexene 2417.3
    2-isopropoxyethanol 396.22
    2,2,2-trifluoroethanol 53.89
    methyl butyrate 731.97

    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

Botanical

Name CAS Botanical Proportion
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.01%