2,5-Dimethyloctane

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  • Identifiers

    CAS number
    15869-89-3

    Molecular formula
    C10H22

    SMILES
    CCCC(C)CCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 42.37%
    Sweet 40.29%
    Fresh 39.47%
    Citrus 35.63%
    Gassy 32.78%
    Waxy 31.1%
    Oily 30.21%
    Woody 29.41%
    Spicy 27.09%
    Pine 26.14%

     

    Flavor
    Alkane 34.71%
    Gasoline 27.04%
    Delicate 22.37%
    Ammonia 22.08%
    Leathery 21.67%
    Glue 21.18%
    Yeasty 21.17%
    Skunky 20.91%
    Bloody 20.88%
    Fresh 20.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    10.06 (weak base)

    Molecular weight
    142.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    156°C

    Flash point

    • 43.68 ˚C est.

  • Synonyms

    • 2,5-Dimethyloctane
    • Octane, 2,5-dimethyl-
    • DTXSID70871244
    • Octane, 2,5dimethyl
    • RefChem:82964
    • DTXCID50818915
    • HOAAQUNESXYFDT-UHFFFAOYSA-N
    • 15869-89-3
    • SCHEMBL101545
    • SCHEMBL597294
    • SCHEMBL603698
    • SCHEMBL1972172
    • SCHEMBL2784167
    • SCHEMBL5986897
    • SCHEMBL6374989
    • SCHEMBL9532807
    • SCHEMBL11739413
    • SCHEMBL12475271
    • SCHEMBL16238893
    • SCHEMBL28153727
    • Q5651216
    • 15869-89-3

  • Applications

    2,5-Dimethyloctane is a branched aliphatic hydrocarbon that may be used as a non-polar solvent and diluent in a range of industrial formulations, including cleaning products, coatings, and inks; it can appear as a component in hydrocarbon fuel blends, influencing volatility and performance; it may serve as a base-oil fraction or additive in mineral-oil-based lubricants; and it is sometimes used as a processing solvent in polymer manufacturing and related processing steps.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1268.8
    methanol 512.97
    isopropanol 1788.88
    water 0.03
    ethyl acetate 2503.89
    n-propanol 1681.23
    acetone 2290.65
    n-butanol 2552.82
    acetonitrile 993.13
    DMF 1052.84
    toluene 2248.37
    isobutanol 1816.95
    1,4-dioxane 3867.45
    methyl acetate 1623.54
    THF 7722.95
    2-butanone 2797.08
    n-pentanol 1805.94
    sec-butanol 2455.5
    n-hexane 7564.5
    ethylene glycol 67.45
    NMP 1258.1
    cyclohexane 7042.78
    DMSO 1118.14
    n-butyl acetate 7836.42
    n-octanol 1894.75
    chloroform 3808.12
    n-propyl acetate 2148.4
    acetic acid 483.06
    dichloromethane 2639.79
    cyclohexanone 4338.11
    propylene glycol 230.4
    isopropyl acetate 2354.55
    DMAc 1038.41
    2-ethoxyethanol 974.58
    isopentanol 3005.9
    n-heptane 9186.35
    ethyl formate 875.13
    1,2-dichloroethane 2349.21
    n-hexanol 5945.91
    2-methoxyethanol 1226.07
    isobutyl acetate 1804.48
    tetrachloromethane 1405.23
    n-pentyl acetate 2201.81
    transcutol 3809.19
    n-heptanol 1968.21
    ethylbenzene 1369.76
    MIBK 2480.63
    2-propoxyethanol 3389.91
    tert-butanol 3723.66
    MTBE 7228.33
    2-butoxyethanol 1693.5
    propionic acid 713.86
    o-xylene 1323.8
    formic acid 38.91
    diethyl ether 5754.56
    m-xylene 1539.37
    p-xylene 1677.76
    chlorobenzene 1610.22
    dimethyl carbonate 283.76
    n-octane 1949.47
    formamide 63.75
    cyclopentanone 3347.9
    2-pentanone 3183.82
    anisole 1405.74
    cyclopentyl methyl ether 4963.88
    gamma-butyrolactone 2131.67
    1-methoxy-2-propanol 1483.29
    pyridine 2518.55
    3-pentanone 2223.11
    furfural 1269.59
    n-dodecane 881.56
    diethylene glycol 747.99
    diisopropyl ether 3303.97
    tert-amyl alcohol 3780.46
    acetylacetone 1714.44
    n-hexadecane 1035.41
    acetophenone 890.14
    methyl propionate 1291.38
    isopentyl acetate 6467.12
    trichloroethylene 2809.94
    n-nonanol 1760.36
    cyclohexanol 3094.34
    benzyl alcohol 658.54
    2-ethylhexanol 6167.93
    isooctanol 1807.33
    dipropyl ether 10776.73
    1,2-dichlorobenzene 1315.45
    ethyl lactate 469.04
    propylene carbonate 1415.61
    n-methylformamide 352.3
    2-pentanol 2636.29
    n-pentane 4252.01
    1-propoxy-2-propanol 4392.41
    1-methoxy-2-propyl acetate 2887.03
    2-(2-methoxypropoxy) propanol 1194.89
    mesitylene 1272.3
    ε-caprolactone 2964.45
    p-cymene 1901.06
    epichlorohydrin 2758.27
    1,1,1-trichloroethane 3641.34
    2-aminoethanol 243.19
    morpholine-4-carbaldehyde 1375.33
    sulfolane 1932.6
    2,2,4-trimethylpentane 1776.5
    2-methyltetrahydrofuran 7556.68
    n-hexyl acetate 2937.85
    isooctane 1693.02
    2-(2-butoxyethoxy)ethanol 1792.5
    sec-butyl acetate 1879.25
    tert-butyl acetate 2987.21
    decalin 2221.73
    glycerin 216.66
    diglyme 3048.27
    acrylic acid 359.24
    isopropyl myristate 1459.52
    n-butyric acid 2042.72
    acetyl acetate 1065.12
    di(2-ethylhexyl) phthalate 651.96
    ethyl propionate 1746.37
    nitromethane 658.04
    1,2-diethoxyethane 4387.46
    benzonitrile 1189.47
    trioctyl phosphate 731.91
    1-bromopropane 4646.71
    gamma-valerolactone 2708.39
    n-decanol 1360.08
    triethyl phosphate 1139.58
    4-methyl-2-pentanol 2035.02
    propionitrile 1799.7
    vinylene carbonate 849.99
    1,1,2-trichlorotrifluoroethane 1142.13
    DMS 818.93
    cumene 1032.06
    2-octanol 1571.07
    2-hexanone 3161.08
    octyl acetate 1459.15
    limonene 4411.38
    1,2-dimethoxyethane 3231.3
    ethyl orthosilicate 1475.14
    tributyl phosphate 909.11
    diacetone alcohol 1873.8
    N,N-dimethylaniline 1019.54
    acrylonitrile 1093.51
    aniline 1308.95
    1,3-propanediol 571.64
    bromobenzene 2035.12
    dibromomethane 3017.09
    1,1,2,2-tetrachloroethane 3107.29
    2-methyl-cyclohexyl acetate 2522.61
    tetrabutyl urea 1062.25
    diisobutyl methanol 3359.3
    2-phenylethanol 1474.18
    styrene 1451.38
    dioctyl adipate 1255.74
    dimethyl sulfate 338.52
    ethyl butyrate 4259.05
    methyl lactate 349.91
    butyl lactate 1122.64
    diethyl carbonate 1861.33
    propanediol butyl ether 925.86
    triethyl orthoformate 3277.82
    p-tert-butyltoluene 1978.95
    methyl 4-tert-butylbenzoate 1023.65
    morpholine 4333.26
    tert-butylamine 4311.11
    n-dodecanol 1118.85
    dimethoxymethane 1316.96
    ethylene carbonate 1054.21
    cyrene 601.4
    2-ethoxyethyl acetate 1559.01
    2-ethylhexyl acetate 5780.0
    1,2,4-trichlorobenzene 1329.18
    4-methylpyridine 2739.26
    dibutyl ether 6128.76
    2,6-dimethyl-4-heptanol 3359.3
    DEF 2246.67
    dimethyl isosorbide 1916.25
    tetrachloroethylene 1914.97
    eugenol 735.27
    triacetin 1141.91
    span 80 1414.67
    1,4-butanediol 215.72
    1,1-dichloroethane 3177.99
    2-methyl-1-pentanol 2165.76
    methyl formate 254.23
    2-methyl-1-butanol 2590.49
    n-decane 1718.1
    butyronitrile 2910.5
    3,7-dimethyl-1-octanol 2646.01
    1-chlorooctane 2820.44
    1-chlorotetradecane 1091.76
    n-nonane 2055.42
    undecane 1182.0
    tert-butylcyclohexane 2151.75
    cyclooctane 2928.79
    cyclopentanol 2197.66
    tetrahydropyran 8512.84
    tert-amyl methyl ether 4826.87
    2,5,8-trioxanonane 1634.8
    1-hexene 8266.66
    2-isopropoxyethanol 1104.79
    2,2,2-trifluoroethanol 101.39
    methyl butyrate 2342.5

    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