2,3,4-Trimethylpentane

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  • Identifiers

    CAS number
    565-75-3

    Molecular formula
    C8H18

    SMILES
    CC(C)C(C)C(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fresh 45.89%
    Woody 44.19%
    Camphoreous 41.5%
    Herbal 40.98%
    Mint 35.33%
    Pine 33.17%
    Green 31.68%
    Ethereal 30.36%
    Spicy 27.67%
    Gassy 25.8%

     

    Flavor
    Fresh 23.23%
    Yeasty 21.59%
    Gasoline 20.74%
    Glue 20.64%
    Bloody 20.6%
    Leathery 20.44%
    Delicate 20.42%
    Fishy 19.89%
    Skunky 19.78%
    Rotten 19.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    10.52 (weak base)

    Molecular weight
    114.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    109°C

    Flash point

    • 7.52 ˚C est.

  • Synonyms

    • 2,3,4-TRIMETHYLPENTANE
    • 565-75-3
    • Pentane, 2,3,4-trimethyl-
    • 2,3,4-Trimethyl-pentane
    • WOJ1QVR6OA
    • NSC-24846
    • DTXSID6060343
    • CHEBI:165735
    • RefChem:81340
    • DTXCID1042079
    • 209-292-6
    • MFCD00008924
    • UNII-WOJ1QVR6OA
    • EINECS 209-292-6
    • NSC 24846
    • BRN 1696869
    • NSC24846
    • Pentane,3,4-trimethyl-
    • SCHEMBL81104
    • SCHEMBL81105
    • 4-01-00-00446 (Beilstein Handbook Reference)
    • 1,1-DIISOPROPYLETHANE
    • SCHEMBL238261
    • SCHEMBL347178
    • SCHEMBL1355803
    • SCHEMBL5984834
    • SCHEMBL6047027
    • SCHEMBL7477946
    • SCHEMBL23069460
    • 2,3,4-Trimethylpentane, 98%
    • LMFA11000711
    • (CH3)2CHCH(CH3)CH(CH3)2
    • AKOS015841803
    • MSK158586-1000M
    • NS00022392
    • T0482
    • T72628
    • Q2813774
    • 2,3,4-Trimethylpentane Solution in Methanol, 1000ug/mL
    • 565-75-3

  • Applications

    2,3,4-Trimethylpentane (CAS 565-75-3) is a branched C8 aliphatic hydrocarbon primarily used as a non-polar solvent in industrial formulations and as a component in hydrocarbon fuel blends. In fuels, it contributes to volatility and may be included in blending streams to optimize octane characteristics and combustion performance. In coatings, inks, and industrial cleaners, it serves as a low-viscosity solvent for dissolving resins, pigments, and binders. It can also function as a feedstock or intermediate in petrochemical processing, and may be used as a solvent in polymer processing or analytical applications where non-polar solvents are required. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 251.47
    methanol 154.7
    isopropanol 247.4
    water 0.12
    ethyl acetate 490.22
    n-propanol 315.79
    acetone 311.13
    n-butanol 433.65
    acetonitrile 223.78
    DMF 176.83
    toluene 374.92
    isobutanol 270.25
    1,4-dioxane 836.65
    methyl acetate 339.34
    THF 1678.36
    2-butanone 461.43
    n-pentanol 269.62
    sec-butanol 356.1
    n-hexane 1041.43
    ethylene glycol 16.65
    NMP 490.27
    cyclohexane 1046.77
    DMSO 178.71
    n-butyl acetate 1388.14
    n-octanol 386.12
    chloroform 995.74
    n-propyl acetate 397.77
    acetic acid 149.67
    dichloromethane 750.93
    cyclohexanone 882.51
    propylene glycol 40.13
    isopropyl acetate 369.65
    DMAc 233.88
    2-ethoxyethanol 188.33
    isopentanol 386.61
    n-heptane 1519.91
    ethyl formate 214.25
    1,2-dichloroethane 505.83
    n-hexanol 952.06
    2-methoxyethanol 246.22
    isobutyl acetate 302.09
    tetrachloromethane 439.36
    n-pentyl acetate 529.57
    transcutol 784.52
    n-heptanol 413.35
    ethylbenzene 241.14
    MIBK 311.07
    2-propoxyethanol 646.67
    tert-butanol 413.38
    MTBE 818.46
    2-butoxyethanol 378.36
    propionic acid 172.81
    o-xylene 270.79
    formic acid 21.14
    diethyl ether 908.01
    m-xylene 264.71
    p-xylene 317.53
    chlorobenzene 402.99
    dimethyl carbonate 69.66
    n-octane 359.09
    formamide 29.41
    cyclopentanone 835.39
    2-pentanone 459.31
    anisole 286.01
    cyclopentyl methyl ether 960.67
    gamma-butyrolactone 717.28
    1-methoxy-2-propanol 227.67
    pyridine 519.21
    3-pentanone 420.45
    furfural 409.48
    n-dodecane 161.25
    diethylene glycol 175.39
    diisopropyl ether 467.01
    tert-amyl alcohol 501.24
    acetylacetone 289.19
    n-hexadecane 181.53
    acetophenone 222.58
    methyl propionate 280.78
    isopentyl acetate 1034.58
    trichloroethylene 681.47
    n-nonanol 370.82
    cyclohexanol 574.01
    benzyl alcohol 148.12
    2-ethylhexanol 1023.74
    isooctanol 363.18
    dipropyl ether 1705.05
    1,2-dichlorobenzene 365.74
    ethyl lactate 108.67
    propylene carbonate 455.3
    n-methylformamide 92.52
    2-pentanol 374.45
    n-pentane 661.02
    1-propoxy-2-propanol 785.27
    1-methoxy-2-propyl acetate 556.95
    2-(2-methoxypropoxy) propanol 292.75
    mesitylene 223.09
    ε-caprolactone 752.7
    p-cymene 428.02
    epichlorohydrin 626.38
    1,1,1-trichloroethane 715.58
    2-aminoethanol 60.97
    morpholine-4-carbaldehyde 374.46
    sulfolane 657.82
    2,2,4-trimethylpentane 273.33
    2-methyltetrahydrofuran 1461.1
    n-hexyl acetate 661.86
    isooctane 226.61
    2-(2-butoxyethoxy)ethanol 400.26
    sec-butyl acetate 324.32
    tert-butyl acetate 454.11
    decalin 366.8
    glycerin 45.74
    diglyme 653.68
    acrylic acid 103.52
    isopropyl myristate 356.52
    n-butyric acid 418.7
    acetyl acetate 250.36
    di(2-ethylhexyl) phthalate 182.1
    ethyl propionate 365.91
    nitromethane 179.73
    1,2-diethoxyethane 817.94
    benzonitrile 270.37
    trioctyl phosphate 195.2
    1-bromopropane 754.54
    gamma-valerolactone 675.15
    n-decanol 286.65
    triethyl phosphate 321.51
    4-methyl-2-pentanol 254.15
    propionitrile 321.69
    vinylene carbonate 291.88
    1,1,2-trichlorotrifluoroethane 282.79
    DMS 245.12
    cumene 206.11
    2-octanol 318.15
    2-hexanone 461.35
    octyl acetate 383.33
    limonene 858.33
    1,2-dimethoxyethane 527.47
    ethyl orthosilicate 374.84
    tributyl phosphate 244.24
    diacetone alcohol 309.81
    N,N-dimethylaniline 210.96
    acrylonitrile 216.83
    aniline 274.3
    1,3-propanediol 128.35
    bromobenzene 478.35
    dibromomethane 725.88
    1,1,2,2-tetrachloroethane 691.01
    2-methyl-cyclohexyl acetate 620.46
    tetrabutyl urea 275.43
    diisobutyl methanol 600.38
    2-phenylethanol 341.87
    styrene 252.49
    dioctyl adipate 320.57
    dimethyl sulfate 96.08
    ethyl butyrate 888.51
    methyl lactate 78.28
    butyl lactate 271.98
    diethyl carbonate 446.91
    propanediol butyl ether 203.04
    triethyl orthoformate 688.71
    p-tert-butyltoluene 434.36
    methyl 4-tert-butylbenzoate 301.37
    morpholine 820.17
    tert-butylamine 466.23
    n-dodecanol 232.71
    dimethoxymethane 218.21
    ethylene carbonate 310.16
    cyrene 196.91
    2-ethoxyethyl acetate 419.86
    2-ethylhexyl acetate 1070.13
    1,2,4-trichlorobenzene 375.54
    4-methylpyridine 508.0
    dibutyl ether 994.89
    2,6-dimethyl-4-heptanol 600.38
    DEF 407.48
    dimethyl isosorbide 594.62
    tetrachloroethylene 531.6
    eugenol 220.76
    triacetin 297.23
    span 80 342.72
    1,4-butanediol 48.87
    1,1-dichloroethane 566.41
    2-methyl-1-pentanol 307.17
    methyl formate 79.09
    2-methyl-1-butanol 393.49
    n-decane 306.7
    butyronitrile 462.78
    3,7-dimethyl-1-octanol 482.91
    1-chlorooctane 527.55
    1-chlorotetradecane 222.19
    n-nonane 359.66
    undecane 210.71
    tert-butylcyclohexane 371.25
    cyclooctane 500.63
    cyclopentanol 489.77
    tetrahydropyran 1409.89
    tert-amyl methyl ether 691.53
    2,5,8-trioxanonane 428.78
    1-hexene 1039.13
    2-isopropoxyethanol 192.18
    2,2,2-trifluoroethanol 45.46
    methyl butyrate 443.14

    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