3,4-Dimethylhexane

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  • Identifiers

    CAS number
    583-48-2

    Molecular formula
    C8H18

    SMILES
    CCC(C)C(C)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fresh 39.52%
    Herbal 36.3%
    Woody 33.01%
    Gassy 31.91%
    Citrus 30.65%
    Sweet 27.17%
    Pine 26.91%
    Ethereal 25.31%
    Camphoreous 24.93%
    Spicy 24.8%

     

    Flavor
    Alkane 40.26%
    Gasoline 26.63%
    Fresh 21.95%
    Citrus 21.2%
    Rotten 20.64%
    Leathery 20.16%
    Bloody 20.14%
    Delicate 20.14%
    Glue 20.05%
    Skunky 20.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.32 (weak base)

    Molecular weight
    114.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    114°C

    Flash point

    • 9.6 ˚C est.

  • Synonyms

    • 3,4-DIMETHYLHEXANE
    • 583-48-2
    • Hexane, 3,4-dimethyl-
    • 3,4-DIMETHYL HEXANE
    • MFCD00039927
    • NSC74173
    • EINECS 209-504-7
    • NSC 74173
    • 3,4-dimethyl-hexane
    • SCHEMBL25157
    • SCHEMBL56440
    • SCHEMBL101392
    • SCHEMBL101393
    • SCHEMBL229948
    • SCHEMBL1362150
    • SCHEMBL3280677
    • SCHEMBL5985870
    • SCHEMBL6728521
    • DTXSID30862234
    • C2H5CH(CH3)CH(CH3)C2H5
    • NSC-74173
    • AKOS015841879
    • 3,4-Dimethylhexane, analytical standard
    • DB-053191
    • D1228
    • NS00043552
    • D89816
    • Q2815980
    • 583-48-2

  • Applications

    3,4-Dimethylhexane (CAS 583-48-2) is a non-polar hydrocarbon primarily used as a solvent and processing aid in industrial manufacturing. It is commonly employed as a thinning and cleaning solvent in coatings, inks, and adhesives formulations, and as a degreasing solvent for metal parts and equipment. It may serve as a petrochemical feedstock or intermediate in synthesis and can appear as a component in petroleum distillates and related blends. In polymer and plastics processing, it can function as a processing solvent or dilution medium under appropriate formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 233.93
    methanol 127.37
    isopropanol 286.1
    water 0.04
    ethyl acetate 543.07
    n-propanol 325.57
    acetone 358.76
    n-butanol 451.12
    acetonitrile 271.49
    DMF 232.97
    toluene 515.19
    isobutanol 302.38
    1,4-dioxane 962.96
    methyl acetate 398.07
    THF 1816.06
    2-butanone 566.64
    n-pentanol 322.37
    sec-butanol 429.12
    n-hexane 970.01
    ethylene glycol 14.96
    NMP 526.47
    cyclohexane 1004.07
    DMSO 241.05
    n-butyl acetate 1870.79
    n-octanol 415.24
    chloroform 1308.89
    n-propyl acetate 556.13
    acetic acid 119.32
    dichloromethane 994.42
    cyclohexanone 1110.82
    propylene glycol 40.61
    isopropyl acetate 468.07
    DMAc 275.0
    2-ethoxyethanol 224.79
    isopentanol 486.26
    n-heptane 1443.45
    ethyl formate 239.03
    1,2-dichloroethane 718.24
    n-hexanol 1018.42
    2-methoxyethanol 259.45
    isobutyl acetate 414.63
    tetrachloromethane 575.88
    n-pentyl acetate 653.05
    transcutol 875.8
    n-heptanol 441.32
    ethylbenzene 334.68
    MIBK 424.93
    2-propoxyethanol 704.04
    tert-butanol 546.4
    MTBE 1029.95
    2-butoxyethanol 420.98
    propionic acid 174.0
    o-xylene 354.2
    formic acid 14.03
    diethyl ether 1050.26
    m-xylene 353.55
    p-xylene 406.9
    chlorobenzene 539.81
    dimethyl carbonate 75.56
    n-octane 406.79
    formamide 22.16
    cyclopentanone 978.96
    2-pentanone 569.77
    anisole 387.92
    cyclopentyl methyl ether 1116.89
    gamma-butyrolactone 750.31
    1-methoxy-2-propanol 271.31
    pyridine 702.34
    3-pentanone 501.39
    furfural 492.2
    n-dodecane 186.7
    diethylene glycol 180.11
    diisopropyl ether 535.29
    tert-amyl alcohol 614.61
    acetylacetone 374.07
    n-hexadecane 213.32
    acetophenone 308.26
    methyl propionate 316.6
    isopentyl acetate 1381.69
    trichloroethylene 989.69
    n-nonanol 393.61
    cyclohexanol 626.97
    benzyl alcohol 190.32
    2-ethylhexanol 1148.91
    isooctanol 426.64
    dipropyl ether 1943.83
    1,2-dichlorobenzene 530.31
    ethyl lactate 139.11
    propylene carbonate 515.98
    n-methylformamide 99.25
    2-pentanol 444.15
    n-pentane 635.25
    1-propoxy-2-propanol 914.03
    1-methoxy-2-propyl acetate 662.52
    2-(2-methoxypropoxy) propanol 337.14
    mesitylene 293.03
    ε-caprolactone 916.65
    p-cymene 528.3
    epichlorohydrin 855.91
    1,1,1-trichloroethane 1077.43
    2-aminoethanol 56.1
    morpholine-4-carbaldehyde 432.59
    sulfolane 781.46
    2,2,4-trimethylpentane 305.52
    2-methyltetrahydrofuran 1697.39
    n-hexyl acetate 774.44
    isooctane 260.98
    2-(2-butoxyethoxy)ethanol 469.29
    sec-butyl acetate 435.64
    tert-butyl acetate 574.46
    decalin 418.9
    glycerin 48.2
    diglyme 833.41
    acrylic acid 100.01
    isopropyl myristate 408.65
    n-butyric acid 456.52
    acetyl acetate 280.31
    di(2-ethylhexyl) phthalate 209.47
    ethyl propionate 466.96
    nitromethane 178.86
    1,2-diethoxyethane 1053.64
    benzonitrile 385.14
    trioctyl phosphate 219.57
    1-bromopropane 1098.27
    gamma-valerolactone 802.48
    n-decanol 312.55
    triethyl phosphate 380.24
    4-methyl-2-pentanol 314.8
    propionitrile 429.44
    vinylene carbonate 346.56
    1,1,2-trichlorotrifluoroethane 342.21
    DMS 274.22
    cumene 274.98
    2-octanol 377.75
    2-hexanone 625.58
    octyl acetate 418.33
    limonene 1045.83
    1,2-dimethoxyethane 735.82
    ethyl orthosilicate 431.72
    tributyl phosphate 278.2
    diacetone alcohol 380.98
    N,N-dimethylaniline 279.02
    acrylonitrile 300.37
    aniline 334.19
    1,3-propanediol 121.08
    bromobenzene 670.27
    dibromomethane 990.82
    1,1,2,2-tetrachloroethane 966.34
    2-methyl-cyclohexyl acetate 735.35
    tetrabutyl urea 324.28
    diisobutyl methanol 714.68
    2-phenylethanol 422.55
    styrene 365.72
    dioctyl adipate 381.32
    dimethyl sulfate 111.29
    ethyl butyrate 1178.49
    methyl lactate 87.48
    butyl lactate 332.94
    diethyl carbonate 571.96
    propanediol butyl ether 227.9
    triethyl orthoformate 888.1
    p-tert-butyltoluene 518.49
    methyl 4-tert-butylbenzoate 358.86
    morpholine 925.69
    tert-butylamine 586.79
    n-dodecanol 259.08
    dimethoxymethane 260.37
    ethylene carbonate 366.31
    cyrene 228.4
    2-ethoxyethyl acetate 479.95
    2-ethylhexyl acetate 1369.3
    1,2,4-trichlorobenzene 514.14
    4-methylpyridine 731.48
    dibutyl ether 1222.21
    2,6-dimethyl-4-heptanol 714.68
    DEF 523.97
    dimethyl isosorbide 715.77
    tetrachloroethylene 671.54
    eugenol 277.5
    triacetin 344.35
    span 80 384.21
    1,4-butanediol 51.76
    1,1-dichloroethane 831.89
    2-methyl-1-pentanol 378.2
    methyl formate 81.97
    2-methyl-1-butanol 454.04
    n-decane 353.2
    butyronitrile 623.31
    3,7-dimethyl-1-octanol 570.75
    1-chlorooctane 645.15
    1-chlorotetradecane 261.1
    n-nonane 420.37
    undecane 241.27
    tert-butylcyclohexane 431.22
    cyclooctane 514.54
    cyclopentanol 521.01
    tetrahydropyran 1642.0
    tert-amyl methyl ether 820.06
    2,5,8-trioxanonane 507.55
    1-hexene 1249.36
    2-isopropoxyethanol 237.75
    2,2,2-trifluoroethanol 35.23
    methyl butyrate 594.7

    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