4,4-Dimethyl-undecane

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  • Identifiers

    CAS number
    17312-68-4

    Molecular formula
    C13H28

    SMILES
    CCCCCCCC(C)(C)CCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 50.18%
    Sweet 39.47%
    Oily 31.62%
    Gassy 29.88%
    Fresh 24.67%
    Citrus 22.84%
    Fatty 21.43%
    Woody 19.88%
    Green 19.25%
    Herbal 19.15%

     

    Flavor
    Alkane 62.0%
    Gasoline 29.45%
    Waxy 23.77%
    Delicate 21.54%
    Mild 20.84%
    Rotten 20.77%
    Leathery 20.31%
    Citrus peel 20.26%
    Skunky 20.21%
    Incense 20.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    9.34 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 84.13 ˚C est.

  • Synonyms

    • 17312-68-4
    • 4,4-DIMETHYL-UNDECANE
    • DTXSID20169527
    • RefChem:507426
    • DTXCID7092018
    • 4,4-Dimethylundecane
    • Undecane, 4,4-dimethyl-
    • 4,4-dimethyl undecane
    • 4,4-Dimethylundecane #
    • SCHEMBL15552969
    • SCHEMBL25383840
    • SCHEMBL25384997
    • SCHEMBL28111510
    • SCHEMBL28154771
    • 17312-68-4

  • Applications

    4,4-Dimethyl-undecane (CAS 17312-68-4) is a branched paraffinic hydrocarbon that may be used as a nonpolar solvent and diluent in industrial formulations, including applications such as coatings, paints, inks, and industrial cleaning. It may also serve as a component in lubricant base oils or as a processing aid in polymer and plastics manufacture. Additionally, it can be treated as a chemical intermediate for the synthesis of more complex branched hydrocarbons, and may be used as a solvent or processing aid in materials fabrication, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2254.29
    methanol 820.88
    isopropanol 3009.33
    water 0.01
    ethyl acetate 6371.3
    n-propanol 2993.19
    acetone 4541.35
    n-butanol 4694.61
    acetonitrile 1467.19
    DMF 2064.92
    toluene 4474.07
    isobutanol 3363.25
    1,4-dioxane 7770.34
    methyl acetate 3175.24
    THF 14763.68
    2-butanone 5318.04
    n-pentanol 3300.85
    sec-butanol 4091.33
    n-hexane 15002.27
    ethylene glycol 62.21
    NMP 2173.57
    cyclohexane 16302.26
    DMSO 1755.27
    n-butyl acetate 17643.14
    n-octanol 3556.81
    chloroform 5403.81
    n-propyl acetate 5248.4
    acetic acid 690.63
    dichloromethane 4746.27
    cyclohexanone 9274.49
    propylene glycol 234.22
    isopropyl acetate 6282.54
    DMAc 2130.07
    2-ethoxyethanol 1830.26
    isopentanol 5690.05
    n-heptane 22281.0
    ethyl formate 1608.25
    1,2-dichloroethane 4814.77
    n-hexanol 10884.96
    2-methoxyethanol 2171.33
    isobutyl acetate 4627.47
    tetrachloromethane 1873.47
    n-pentyl acetate 5487.73
    transcutol 9038.89
    n-heptanol 3756.37
    ethylbenzene 2699.35
    MIBK 5998.72
    2-propoxyethanol 6538.27
    tert-butanol 6716.84
    MTBE 16235.96
    2-butoxyethanol 3340.71
    propionic acid 1025.65
    o-xylene 2631.93
    formic acid 42.84
    diethyl ether 15631.1
    m-xylene 3237.33
    p-xylene 3358.76
    chlorobenzene 2729.42
    dimethyl carbonate 606.87
    n-octane 4674.68
    formamide 81.93
    cyclopentanone 6225.46
    2-pentanone 7437.39
    anisole 2653.38
    cyclopentyl methyl ether 11907.95
    gamma-butyrolactone 3771.54
    1-methoxy-2-propanol 2673.4
    pyridine 4127.27
    3-pentanone 5311.95
    furfural 1747.93
    n-dodecane 1784.13
    diethylene glycol 1048.96
    diisopropyl ether 9771.06
    tert-amyl alcohol 6528.97
    acetylacetone 3933.75
    n-hexadecane 2130.24
    acetophenone 1648.18
    methyl propionate 3124.58
    isopentyl acetate 15670.44
    trichloroethylene 4724.38
    n-nonanol 3484.22
    cyclohexanol 5994.77
    benzyl alcohol 1057.56
    2-ethylhexanol 13018.9
    isooctanol 3828.95
    dipropyl ether 27674.73
    1,2-dichlorobenzene 2125.72
    ethyl lactate 855.44
    propylene carbonate 2410.04
    n-methylformamide 579.33
    2-pentanol 5132.23
    n-pentane 8258.87
    1-propoxy-2-propanol 8706.15
    1-methoxy-2-propyl acetate 7318.43
    2-(2-methoxypropoxy) propanol 2340.29
    mesitylene 2719.79
    ε-caprolactone 6305.75
    p-cymene 3931.81
    epichlorohydrin 4840.82
    1,1,1-trichloroethane 6058.32
    2-aminoethanol 293.29
    morpholine-4-carbaldehyde 2710.69
    sulfolane 3323.51
    2,2,4-trimethylpentane 3429.44
    2-methyltetrahydrofuran 14646.5
    n-hexyl acetate 6945.7
    isooctane 3471.55
    2-(2-butoxyethoxy)ethanol 3738.37
    sec-butyl acetate 5050.03
    tert-butyl acetate 8575.48
    decalin 4972.7
    glycerin 217.86
    diglyme 6661.13
    acrylic acid 425.82
    isopropyl myristate 3549.3
    n-butyric acid 3387.27
    acetyl acetate 2250.82
    di(2-ethylhexyl) phthalate 1147.61
    ethyl propionate 4368.77
    nitromethane 1040.7
    1,2-diethoxyethane 12252.41
    benzonitrile 1753.39
    trioctyl phosphate 1466.33
    1-bromopropane 8957.37
    gamma-valerolactone 5262.59
    n-decanol 2648.73
    triethyl phosphate 2358.86
    4-methyl-2-pentanol 4226.84
    propionitrile 2766.04
    vinylene carbonate 1378.45
    1,1,2-trichlorotrifluoroethane 1645.23
    DMS 1766.0
    cumene 2098.05
    2-octanol 2984.77
    2-hexanone 6809.51
    octyl acetate 3397.55
    limonene 9981.72
    1,2-dimethoxyethane 6654.31
    ethyl orthosilicate 3285.83
    tributyl phosphate 1915.4
    diacetone alcohol 4139.34
    N,N-dimethylaniline 2027.9
    acrylonitrile 1523.33
    aniline 2132.59
    1,3-propanediol 852.72
    bromobenzene 3479.07
    dibromomethane 5102.48
    1,1,2,2-tetrachloroethane 4867.38
    2-methyl-cyclohexyl acetate 5712.53
    tetrabutyl urea 2319.68
    diisobutyl methanol 7229.13
    2-phenylethanol 2541.92
    styrene 2704.51
    dioctyl adipate 2745.92
    dimethyl sulfate 623.97
    ethyl butyrate 11048.96
    methyl lactate 590.9
    butyl lactate 2269.71
    diethyl carbonate 4132.51
    propanediol butyl ether 1518.53
    triethyl orthoformate 7958.85
    p-tert-butyltoluene 4137.16
    methyl 4-tert-butylbenzoate 2014.11
    morpholine 8370.27
    tert-butylamine 8044.71
    n-dodecanol 2202.06
    dimethoxymethane 3307.26
    ethylene carbonate 1854.29
    cyrene 1010.06
    2-ethoxyethyl acetate 4014.36
    2-ethylhexyl acetate 14311.08
    1,2,4-trichlorobenzene 2083.25
    4-methylpyridine 4790.72
    dibutyl ether 16302.4
    2,6-dimethyl-4-heptanol 7229.13
    DEF 5328.06
    dimethyl isosorbide 3740.86
    tetrachloroethylene 2897.46
    eugenol 1279.51
    triacetin 2464.33
    span 80 2604.64
    1,4-butanediol 305.48
    1,1-dichloroethane 5515.65
    2-methyl-1-pentanol 4049.54
    methyl formate 407.72
    2-methyl-1-butanol 4674.01
    n-decane 3827.99
    butyronitrile 5283.88
    3,7-dimethyl-1-octanol 5433.96
    1-chlorooctane 6055.74
    1-chlorotetradecane 2221.69
    n-nonane 4757.72
    undecane 2448.82
    tert-butylcyclohexane 4800.93
    cyclooctane 6977.18
    cyclopentanol 3671.49
    tetrahydropyran 18397.1
    tert-amyl methyl ether 10949.42
    2,5,8-trioxanonane 3246.54
    1-hexene 16940.27
    2-isopropoxyethanol 2267.65
    2,2,2-trifluoroethanol 119.99
    methyl butyrate 5589.93

    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