2,2,4-Trimethyldecane

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  • Identifiers

    CAS number
    62237-98-3

    Molecular formula
    C13H28

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 48.31%
    Oily 34.24%
    Herbal 29.92%
    Woody 29.64%
    Citrus 28.48%
    Fresh 28.06%
    Sweet 27.65%
    Green 26.55%
    Gassy 25.26%
    Fatty 25.0%

     

    Flavor
    Alkane 36.39%
    Gasoline 23.9%
    Mild 22.95%
    Delicate 22.8%
    Waxy 22.61%
    Leathery 21.52%
    Yeasty 20.95%
    Diterpene 20.51%
    Skunky 20.48%
    Glue 20.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    9.85 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point

    • 78.23 ˚C est.

  • Synonyms

    • 2,2,4-Trimethyldecane
    • 62237-98-3
    • DTXSID00337984
    • RefChem:1059021
    • DTXCID60289071
    • Decane, 2,2,4-trimethyl-
    • 2,2,4-Trimethyl-Decane
    • 2,2,4-Trimethyldecane #
    • SCHEMBL2490684
    • SCHEMBL25385231
    • ZWJKFSZYIOCMGF-UHFFFAOYSA-N
    • DB-355016
    • 62237-98-3

  • Applications

    2,2,4-Trimethyldecane (CAS 62237-98-3) is a branched nonpolar hydrocarbon primarily used as a solvent/diluent in industrial manufacturing; it serves as a hydrocarbon solvent in coatings, paints and inks; it is employed as a solvent component in adhesive formulations; it acts as a processing solvent or diluent in polymers and plastics processing; and it may be a component in lubricants or processing oils depending on formulation needs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2397.68
    methanol 1048.67
    isopropanol 2975.5
    water 0.04
    ethyl acetate 4976.83
    n-propanol 2865.59
    acetone 3824.37
    n-butanol 4681.7
    acetonitrile 1237.88
    DMF 2053.88
    toluene 4167.31
    isobutanol 3318.27
    1,4-dioxane 6229.41
    methyl acetate 2777.57
    THF 12525.35
    2-butanone 4415.78
    n-pentanol 3420.41
    sec-butanol 3725.8
    n-hexane 13963.17
    ethylene glycol 104.95
    NMP 2511.34
    cyclohexane 13639.05
    DMSO 1533.4
    n-butyl acetate 13741.06
    n-octanol 4132.03
    chloroform 4674.25
    n-propyl acetate 4241.33
    acetic acid 855.16
    dichloromethane 3567.16
    cyclohexanone 8020.77
    propylene glycol 358.02
    isopropyl acetate 5423.63
    DMAc 2354.4
    2-ethoxyethanol 1754.42
    isopentanol 5858.35
    n-heptane 19994.5
    ethyl formate 1439.02
    1,2-dichloroethane 3740.93
    n-hexanol 12287.36
    2-methoxyethanol 2246.4
    isobutyl acetate 4302.32
    tetrachloromethane 1715.19
    n-pentyl acetate 4585.68
    transcutol 7758.9
    n-heptanol 4005.82
    ethylbenzene 2540.15
    MIBK 5534.99
    2-propoxyethanol 6382.03
    tert-butanol 6399.49
    MTBE 14676.78
    2-butoxyethanol 3256.16
    propionic acid 1176.27
    o-xylene 2767.86
    formic acid 77.8
    diethyl ether 11323.19
    m-xylene 3464.13
    p-xylene 3309.6
    chlorobenzene 2636.25
    dimethyl carbonate 601.78
    n-octane 4455.82
    formamide 109.29
    cyclopentanone 5534.98
    2-pentanone 6122.23
    anisole 2364.47
    cyclopentyl methyl ether 10948.12
    gamma-butyrolactone 3325.36
    1-methoxy-2-propanol 2653.53
    pyridine 3270.6
    3-pentanone 4626.74
    furfural 1700.38
    n-dodecane 1924.45
    diethylene glycol 1240.78
    diisopropyl ether 8615.68
    tert-amyl alcohol 6693.54
    acetylacetone 3326.83
    n-hexadecane 2261.53
    acetophenone 1523.43
    methyl propionate 2738.25
    isopentyl acetate 13353.92
    trichloroethylene 3988.48
    n-nonanol 3817.78
    cyclohexanol 6266.16
    benzyl alcohol 1057.97
    2-ethylhexanol 12959.77
    isooctanol 3956.6
    dipropyl ether 20454.81
    1,2-dichlorobenzene 1918.2
    ethyl lactate 881.46
    propylene carbonate 2228.55
    n-methylformamide 683.55
    2-pentanol 4988.14
    n-pentane 7763.34
    1-propoxy-2-propanol 8366.46
    1-methoxy-2-propyl acetate 6698.3
    2-(2-methoxypropoxy) propanol 2465.77
    mesitylene 3053.24
    ε-caprolactone 5839.48
    p-cymene 3941.83
    epichlorohydrin 4252.48
    1,1,1-trichloroethane 5047.25
    2-aminoethanol 414.51
    morpholine-4-carbaldehyde 2660.48
    sulfolane 3073.63
    2,2,4-trimethylpentane 4200.49
    2-methyltetrahydrofuran 13063.94
    n-hexyl acetate 6792.45
    isooctane 4266.87
    2-(2-butoxyethoxy)ethanol 3763.54
    sec-butyl acetate 4438.25
    tert-butyl acetate 7465.15
    decalin 5339.74
    glycerin 320.74
    diglyme 6273.72
    acrylic acid 525.65
    isopropyl myristate 3617.48
    n-butyric acid 3414.57
    acetyl acetate 1841.31
    di(2-ethylhexyl) phthalate 1272.78
    ethyl propionate 3616.08
    nitromethane 1015.62
    1,2-diethoxyethane 8141.09
    benzonitrile 1601.47
    trioctyl phosphate 1665.87
    1-bromopropane 6974.82
    gamma-valerolactone 4874.92
    n-decanol 2937.66
    triethyl phosphate 2149.38
    4-methyl-2-pentanol 4580.83
    propionitrile 2274.53
    vinylene carbonate 1343.1
    1,1,2-trichlorotrifluoroethane 1712.65
    DMS 1756.85
    cumene 2203.24
    2-octanol 3080.16
    2-hexanone 5746.04
    octyl acetate 3667.02
    limonene 9841.72
    1,2-dimethoxyethane 5399.44
    ethyl orthosilicate 3067.91
    tributyl phosphate 1978.03
    diacetone alcohol 4009.53
    N,N-dimethylaniline 1964.41
    acrylonitrile 1284.61
    aniline 2103.46
    1,3-propanediol 976.3
    bromobenzene 3275.76
    dibromomethane 4085.96
    1,1,2,2-tetrachloroethane 4282.27
    2-methyl-cyclohexyl acetate 5630.61
    tetrabutyl urea 2349.45
    diisobutyl methanol 7047.53
    2-phenylethanol 2563.23
    styrene 2464.98
    dioctyl adipate 2697.78
    dimethyl sulfate 644.39
    ethyl butyrate 8143.21
    methyl lactate 663.63
    butyl lactate 2200.02
    diethyl carbonate 3287.74
    propanediol butyl ether 1853.94
    triethyl orthoformate 6815.19
    p-tert-butyltoluene 4200.51
    methyl 4-tert-butylbenzoate 2023.35
    morpholine 6703.48
    tert-butylamine 7413.05
    n-dodecanol 2433.64
    dimethoxymethane 2990.12
    ethylene carbonate 1714.8
    cyrene 1104.54
    2-ethoxyethyl acetate 3142.2
    2-ethylhexyl acetate 12409.09
    1,2,4-trichlorobenzene 1969.71
    4-methylpyridine 4141.99
    dibutyl ether 13291.39
    2,6-dimethyl-4-heptanol 7047.53
    DEF 4682.48
    dimethyl isosorbide 3776.0
    tetrachloroethylene 2652.37
    eugenol 1314.93
    triacetin 2503.8
    span 80 2758.36
    1,4-butanediol 399.07
    1,1-dichloroethane 4313.69
    2-methyl-1-pentanol 4233.4
    methyl formate 515.59
    2-methyl-1-butanol 4911.87
    n-decane 4069.99
    butyronitrile 4514.91
    3,7-dimethyl-1-octanol 6006.38
    1-chlorooctane 6028.83
    1-chlorotetradecane 2416.2
    n-nonane 4977.94
    undecane 2655.04
    tert-butylcyclohexane 5658.69
    cyclooctane 7092.6
    cyclopentanol 3830.32
    tetrahydropyran 14033.36
    tert-amyl methyl ether 11134.78
    2,5,8-trioxanonane 3199.67
    1-hexene 13890.01
    2-isopropoxyethanol 2149.75
    2,2,2-trifluoroethanol 171.44
    methyl butyrate 4567.46

    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