4,6-Dimethylundecane

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  • Identifiers

    CAS number
    17312-82-2

    Molecular formula
    C13H28

    SMILES
    CCCCCC(C)CC(C)CCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 46.89%
    Sweet 36.06%
    Oily 34.44%
    Herbal 33.85%
    Fresh 33.42%
    Citrus 33.29%
    Gassy 31.55%
    Floral 25.17%
    Green 24.86%
    Spicy 23.07%

     

    Flavor
    Alkane 36.26%
    Waxy 25.23%
    Delicate 24.05%
    Gasoline 23.25%
    Leathery 22.26%
    Yeasty 21.36%
    Skunky 21.3%
    Bloody 21.1%
    Glue 21.06%
    Slightly waxy 20.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    9.23 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 85.34 ˚C est.

  • Synonyms

    • 4,6-DIMETHYLUNDECANE
    • 17312-82-2
    • CHEBI:84285
    • DTXSID30938327
    • RefChem:508156
    • DTXCID701366866
    • Undecane, 4,6-dimethyl-
    • 4,6-Dimethylundecane #
    • 4,6-DIMETHYL UNDECANE
    • SCHEMBL4276525
    • SCHEMBL4276528
    • LMFA11000692
    • Q27157649
    • 17312-82-2

  • Applications

    4,6-Dimethylundecane (CAS 17312-82-2) is primarily used as a nonpolar solvent and diluent in coatings and inks, facilitating thinning, resin dissolution, and pigment dispersion. It can serve as a process solvent in cleaning formulations for equipment and surfaces in industrial settings. As a component of base oils and lubricants, it contributes to viscosity control in industrial lubricant formulations. It is also used as a solvent in adhesive and sealant formulations, assisting resin dissolution and film formation. In polymer and plastics processing, it can act as a hydrocarbon processing solvent or diluent to aid extrusion, molding, or formulation steps, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7264.48
    methanol 2358.71
    isopropanol 9649.89
    water 0.01
    ethyl acetate 14428.25
    n-propanol 8557.25
    acetone 14286.16
    n-butanol 12878.53
    acetonitrile 4711.65
    DMF 5166.36
    toluene 8905.77
    isobutanol 8901.93
    1,4-dioxane 19253.35
    methyl acetate 7342.33
    THF 39337.65
    2-butanone 13489.62
    n-pentanol 8792.21
    sec-butanol 10936.39
    n-hexane 30141.2
    ethylene glycol 139.16
    NMP 4521.36
    cyclohexane 35503.46
    DMSO 5390.05
    n-butyl acetate 40715.04
    n-octanol 6402.11
    chloroform 14091.77
    n-propyl acetate 12162.57
    acetic acid 1912.45
    dichloromethane 13870.35
    cyclohexanone 22180.59
    propylene glycol 515.84
    isopropyl acetate 12316.49
    DMAc 3950.9
    2-ethoxyethanol 4479.18
    isopentanol 13845.9
    n-heptane 40885.81
    ethyl formate 4553.96
    1,2-dichloroethane 13129.16
    n-hexanol 24324.91
    2-methoxyethanol 5519.67
    isobutyl acetate 8681.8
    tetrachloromethane 4332.83
    n-pentyl acetate 11421.5
    transcutol 17928.37
    n-heptanol 7306.19
    ethylbenzene 4704.43
    MIBK 12204.81
    2-propoxyethanol 13627.76
    tert-butanol 17684.95
    MTBE 34109.03
    2-butoxyethanol 6507.3
    propionic acid 2566.79
    o-xylene 4085.38
    formic acid 101.59
    diethyl ether 38360.06
    m-xylene 5438.35
    p-xylene 5669.91
    chlorobenzene 5857.21
    dimethyl carbonate 1032.12
    n-octane 7285.2
    formamide 217.71
    cyclopentanone 15424.34
    2-pentanone 18068.34
    anisole 4839.41
    cyclopentyl methyl ether 24481.22
    gamma-butyrolactone 9030.5
    1-methoxy-2-propanol 6315.47
    pyridine 10969.2
    3-pentanone 10565.8
    furfural 3934.1
    n-dodecane 2441.98
    diethylene glycol 2134.22
    diisopropyl ether 17708.92
    tert-amyl alcohol 14093.85
    acetylacetone 8259.17
    n-hexadecane 2918.14
    acetophenone 2877.06
    methyl propionate 6232.5
    isopentyl acetate 31523.84
    trichloroethylene 12245.41
    n-nonanol 5976.28
    cyclohexanol 14384.4
    benzyl alcohol 2113.87
    2-ethylhexanol 25776.64
    isooctanol 6886.26
    dipropyl ether 58819.75
    1,2-dichlorobenzene 3795.45
    ethyl lactate 1323.36
    propylene carbonate 5053.08
    n-methylformamide 1530.0
    2-pentanol 12832.8
    n-pentane 18457.41
    1-propoxy-2-propanol 18547.01
    1-methoxy-2-propyl acetate 13602.76
    2-(2-methoxypropoxy) propanol 3132.38
    mesitylene 4065.49
    ε-caprolactone 13399.03
    p-cymene 6644.47
    epichlorohydrin 12304.75
    1,1,1-trichloroethane 14309.94
    2-aminoethanol 731.99
    morpholine-4-carbaldehyde 5278.44
    sulfolane 7124.45
    2,2,4-trimethylpentane 5066.31
    2-methyltetrahydrofuran 37760.36
    n-hexyl acetate 13186.88
    isooctane 5394.61
    2-(2-butoxyethoxy)ethanol 5707.72
    sec-butyl acetate 9543.39
    tert-butyl acetate 15324.2
    decalin 6846.09
    glycerin 400.56
    diglyme 12091.91
    acrylic acid 953.1
    isopropyl myristate 5353.81
    n-butyric acid 9293.46
    acetyl acetate 4411.96
    di(2-ethylhexyl) phthalate 1684.1
    ethyl propionate 8590.91
    nitromethane 2995.67
    1,2-diethoxyethane 27534.88
    benzonitrile 3984.41
    trioctyl phosphate 2171.11
    1-bromopropane 22959.0
    gamma-valerolactone 12375.7
    n-decanol 4276.87
    triethyl phosphate 3628.19
    4-methyl-2-pentanol 7889.51
    propionitrile 7398.39
    vinylene carbonate 2860.65
    1,1,2-trichlorotrifluoroethane 3388.78
    DMS 2672.98
    cumene 2996.83
    2-octanol 5595.96
    2-hexanone 15784.75
    octyl acetate 5270.85
    limonene 17146.87
    1,2-dimethoxyethane 16912.28
    ethyl orthosilicate 5081.05
    tributyl phosphate 2880.61
    diacetone alcohol 7847.63
    N,N-dimethylaniline 3180.73
    acrylonitrile 3899.62
    aniline 4657.11
    1,3-propanediol 2237.6
    bromobenzene 7281.83
    dibromomethane 14878.88
    1,1,2,2-tetrachloroethane 11245.21
    2-methyl-cyclohexyl acetate 9094.83
    tetrabutyl urea 3516.05
    diisobutyl methanol 12694.83
    2-phenylethanol 4881.77
    styrene 5222.12
    dioctyl adipate 4149.17
    dimethyl sulfate 992.76
    ethyl butyrate 24173.52
    methyl lactate 960.68
    butyl lactate 3898.08
    diethyl carbonate 7791.94
    propanediol butyl ether 2543.94
    triethyl orthoformate 14376.25
    p-tert-butyltoluene 6801.21
    methyl 4-tert-butylbenzoate 2709.3
    morpholine 22461.5
    tert-butylamine 19437.65
    n-dodecanol 3441.42
    dimethoxymethane 7151.87
    ethylene carbonate 3924.42
    cyrene 1391.02
    2-ethoxyethyl acetate 7749.62
    2-ethylhexyl acetate 27286.13
    1,2,4-trichlorobenzene 3607.5
    4-methylpyridine 12327.64
    dibutyl ether 31834.41
    2,6-dimethyl-4-heptanol 12694.83
    DEF 11883.56
    dimethyl isosorbide 5476.34
    tetrachloroethylene 6605.35
    eugenol 1784.83
    triacetin 3626.1
    span 80 3811.67
    1,4-butanediol 703.74
    1,1-dichloroethane 15405.91
    2-methyl-1-pentanol 8595.6
    methyl formate 1087.34
    2-methyl-1-butanol 11089.65
    n-decane 5801.49
    butyronitrile 15233.47
    3,7-dimethyl-1-octanol 8933.0
    1-chlorooctane 10325.03
    1-chlorotetradecane 3185.36
    n-nonane 7435.3
    undecane 3472.96
    tert-butylcyclohexane 6400.8
    cyclooctane 11963.16
    cyclopentanol 9397.51
    tetrahydropyran 47337.0
    tert-amyl methyl ether 19090.39
    2,5,8-trioxanonane 5039.72
    1-hexene 36982.2
    2-isopropoxyethanol 4619.49
    2,2,2-trifluoroethanol 273.98
    methyl butyrate 12346.81

    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