3-Ethyl-2,4-dimethylpentane

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  • Identifiers

    CAS number
    1068-87-7

    Molecular formula
    C9H20

    SMILES
    CCC(C(C)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 44.23%
    Herbal 43.05%
    Fresh 40.66%
    Mint 36.84%
    Camphoreous 34.59%
    Green 33.97%
    Pine 29.01%
    Spicy 27.88%
    Oily 26.84%
    Ethereal 26.38%

     

    Flavor
    Yeasty 21.97%
    Glue 21.47%
    Fresh 21.29%
    Delicate 21.2%
    Leathery 21.03%
    Bloody 20.98%
    Fishy 20.9%
    Ammonia 20.79%
    Ammoniacal 20.48%
    Skunky 20.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    10.8 (weak base)

    Molecular weight
    128.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    130°C

    Flash point

    • 25.31 ˚C est.

  • Synonyms

    • 3-Ethyl-2,4-dimethylpentane
    • 2,4-DIMETHYL-3-ETHYLPENTANE
    • Pentane, 3-ethyl-2,4-dimethyl-
    • ZGK90M81DG
    • EINECS 213-951-3
    • NSC 77450
    • NSC-77450
    • UNII-ZGK90M81DG
    • DTXSID10147778
    • RefChem:93815
    • DTXCID2070269
    • Pentane, 3-ethyl-2,4-dimethyl-(8CI)
    • Pentane, 3-ethyl-2,4-dimethyl-(8CI)(9CI)
    • 213-951-3
    • InChI=1/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H
    • VLHAGZNBWKUMRW-UHFFFAOYSA-N
    • 1068-87-7
    • NSC77450
    • SCHEMBL581977
    • SCHEMBL743493
    • 2,4-Dimethyl-3-ethyl pentane
    • SCHEMBL4620242
    • SCHEMBL4654376
    • SCHEMBL5985958
    • SCHEMBL12475577
    • SCHEMBL15910516
    • SCHEMBL28269245
    • AKOS006274875
    • NS00023431
    • Q5651938
    • 1068-87-7

  • Applications

    3-Ethyl-2,4-dimethylpentane (CAS 1068-87-7) is a branched C9 aliphatic hydrocarbon that is typically used as a non-polar solvent and diluent in various industrial formulations. In industrial manufacturing, it acts as a carrier solvent for coatings, inks, and adhesives, helping to control viscosity and drying times. It is also used in cleaning and degreasing formulations for metals and equipment due to its solvency for hydrocarbon contaminants. In polymer and plastics processing, it serves as a processing solvent and dilution medium for resins and polymer compounds. It may appear as a component in hydrocarbon solvent blends used in household products and consumer cleaners. In analytical and laboratory settings, such hydrocarbons can be used as non-polar solvents or calibration media for non-polar separations where appropriate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 790.76
    methanol 571.52
    isopropanol 695.77
    water 0.11
    ethyl acetate 1388.91
    n-propanol 898.64
    acetone 1100.59
    n-butanol 1205.13
    acetonitrile 723.44
    DMF 538.37
    toluene 1162.52
    isobutanol 803.39
    1,4-dioxane 2486.12
    methyl acetate 953.83
    THF 5090.38
    2-butanone 1272.58
    n-pentanol 731.2
    sec-butanol 940.37
    n-hexane 3284.25
    ethylene glycol 40.84
    NMP 1319.14
    cyclohexane 3815.1
    DMSO 570.51
    n-butyl acetate 3967.24
    n-octanol 946.68
    chloroform 2490.19
    n-propyl acetate 1072.9
    acetic acid 427.0
    dichloromethane 2142.7
    cyclohexanone 2775.76
    propylene glycol 85.88
    isopropyl acetate 1054.28
    DMAc 553.26
    2-ethoxyethanol 450.93
    isopentanol 1107.49
    n-heptane 4332.9
    ethyl formate 610.26
    1,2-dichloroethane 1599.59
    n-hexanol 2765.91
    2-methoxyethanol 646.3
    isobutyl acetate 776.58
    tetrachloromethane 1103.29
    n-pentyl acetate 1428.74
    transcutol 1558.89
    n-heptanol 1045.51
    ethylbenzene 630.95
    MIBK 869.51
    2-propoxyethanol 1724.0
    tert-butanol 1185.44
    MTBE 2380.13
    2-butoxyethanol 840.06
    propionic acid 481.5
    o-xylene 735.08
    formic acid 55.56
    diethyl ether 2951.96
    m-xylene 777.57
    p-xylene 801.12
    chlorobenzene 1156.33
    dimethyl carbonate 178.18
    n-octane 1021.0
    formamide 78.13
    cyclopentanone 2385.05
    2-pentanone 1388.74
    anisole 641.73
    cyclopentyl methyl ether 3072.64
    gamma-butyrolactone 2034.34
    1-methoxy-2-propanol 539.16
    pyridine 1508.44
    3-pentanone 1222.77
    furfural 1034.17
    n-dodecane 392.34
    diethylene glycol 411.56
    diisopropyl ether 1377.82
    tert-amyl alcohol 1281.32
    acetylacetone 791.34
    n-hexadecane 461.28
    acetophenone 492.57
    methyl propionate 775.99
    isopentyl acetate 3033.61
    trichloroethylene 1959.53
    n-nonanol 851.98
    cyclohexanol 1782.92
    benzyl alcohol 319.54
    2-ethylhexanol 2762.63
    isooctanol 894.61
    dipropyl ether 4490.42
    1,2-dichlorobenzene 925.4
    ethyl lactate 214.01
    propylene carbonate 1158.71
    n-methylformamide 291.0
    2-pentanol 1044.36
    n-pentane 2003.57
    1-propoxy-2-propanol 1963.17
    1-methoxy-2-propyl acetate 1450.34
    2-(2-methoxypropoxy) propanol 525.9
    mesitylene 608.8
    ε-caprolactone 2026.35
    p-cymene 1045.2
    epichlorohydrin 1916.24
    1,1,1-trichloroethane 2077.24
    2-aminoethanol 137.95
    morpholine-4-carbaldehyde 938.43
    sulfolane 1898.38
    2,2,4-trimethylpentane 785.35
    2-methyltetrahydrofuran 4813.13
    n-hexyl acetate 1721.7
    isooctane 630.1
    2-(2-butoxyethoxy)ethanol 757.67
    sec-butyl acetate 813.46
    tert-butyl acetate 1273.2
    decalin 1065.09
    glycerin 94.14
    diglyme 1380.08
    acrylic acid 263.29
    isopropyl myristate 803.17
    n-butyric acid 1053.67
    acetyl acetate 663.75
    di(2-ethylhexyl) phthalate 375.03
    ethyl propionate 912.78
    nitromethane 546.02
    1,2-diethoxyethane 2088.21
    benzonitrile 648.83
    trioctyl phosphate 429.98
    1-bromopropane 2293.54
    gamma-valerolactone 1884.02
    n-decanol 628.52
    triethyl phosphate 626.1
    4-methyl-2-pentanol 626.44
    propionitrile 926.49
    vinylene carbonate 732.5
    1,1,2-trichlorotrifluoroethane 664.91
    DMS 594.72
    cumene 497.3
    2-octanol 836.53
    2-hexanone 1309.41
    octyl acetate 866.24
    limonene 2429.1
    1,2-dimethoxyethane 1424.53
    ethyl orthosilicate 772.86
    tributyl phosphate 546.38
    diacetone alcohol 754.45
    N,N-dimethylaniline 470.17
    acrylonitrile 599.87
    aniline 722.96
    1,3-propanediol 317.33
    bromobenzene 1382.43
    dibromomethane 2256.28
    1,1,2,2-tetrachloroethane 1772.88
    2-methyl-cyclohexyl acetate 1455.68
    tetrabutyl urea 636.94
    diisobutyl methanol 1498.95
    2-phenylethanol 808.67
    styrene 679.11
    dioctyl adipate 687.57
    dimethyl sulfate 221.13
    ethyl butyrate 2151.53
    methyl lactate 168.05
    butyl lactate 621.3
    diethyl carbonate 947.57
    propanediol butyl ether 416.62
    triethyl orthoformate 1513.02
    p-tert-butyltoluene 1063.09
    methyl 4-tert-butylbenzoate 622.57
    morpholine 2483.65
    tert-butylamine 1282.42
    n-dodecanol 501.08
    dimethoxymethane 653.25
    ethylene carbonate 813.4
    cyrene 367.55
    2-ethoxyethyl acetate 1048.48
    2-ethylhexyl acetate 3099.84
    1,2,4-trichlorobenzene 920.91
    4-methylpyridine 1488.61
    dibutyl ether 2701.15
    2,6-dimethyl-4-heptanol 1498.95
    DEF 1149.79
    dimethyl isosorbide 1209.57
    tetrachloroethylene 1358.96
    eugenol 425.27
    triacetin 629.94
    span 80 645.69
    1,4-butanediol 106.86
    1,1-dichloroethane 1649.16
    2-methyl-1-pentanol 797.79
    methyl formate 254.6
    2-methyl-1-butanol 1124.54
    n-decane 817.7
    butyronitrile 1406.44
    3,7-dimethyl-1-octanol 1126.78
    1-chlorooctane 1389.54
    1-chlorotetradecane 520.56
    n-nonane 1033.05
    undecane 534.94
    tert-butylcyclohexane 1084.29
    cyclooctane 1631.75
    cyclopentanol 1474.85
    tetrahydropyran 4796.38
    tert-amyl methyl ether 1954.41
    2,5,8-trioxanonane 765.02
    1-hexene 3177.73
    2-isopropoxyethanol 437.43
    2,2,2-trifluoroethanol 109.89
    methyl butyrate 1116.01

    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