Dodecane, 4-methyl-

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  • Identifiers

    CAS number
    6117-97-1

    Molecular formula
    C13H28

    SMILES
    CCCCCCCCC(C)CCC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Waxy 59.66%
    Sweet 38.21%
    Gassy 34.65%
    Oily 30.39%
    Fatty 22.08%
    Fresh 21.3%
    Citrus 19.92%
    Fishy 19.39%
    Clean 17.37%
    Burnt 17.1%

     

    Flavor
    Alkane 60.78%
    Waxy 34.67%
    Gasoline 24.45%
    Delicate 23.31%
    Slightly waxy 21.57%
    Incense 21.27%
    Leathery 21.18%
    Citrus peel 21.18%
    Grapefruit peel 21.07%
    Skunky 20.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    8.97 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 89.09 ˚C est.

  • Synonyms

    • 4-Methyldodecane
    • Dodecane, 4-methyl-
    • DTXSID1058638
    • RefChem:135417
    • DTXCID9032325
    • 678-595-7
    • UZTXSMATBUWDDZ-UHFFFAOYSA-N
    • 6117-97-1
    • MFCD00048968
    • 4-methyl-dodecane
    • SCHEMBL100559
    • SCHEMBL101542
    • SCHEMBL450698
    • SCHEMBL5496932
    • SCHEMBL5684301
    • SCHEMBL5984296
    • SCHEMBL10496966
    • SCHEMBL12484810
    • CHEBI:229452
    • CS-0205047
    • M0238
    • T72705
    • 6117-97-1

  • Applications

    Dodecane, 4-methyl- (CAS 6117-97-1) is primarily used as a non-polar solvent and processing diluent in a range of industrial formulations, including coatings, inks and adhesives, where it helps adjust viscosity and drying characteristics. It may be employed as a carrier/diluent in fragrance and cosmetic preparations, providing a non-polar solvent medium for fragrance oils or actives. It also serves as a cleaning and degreasing solvent in industrial maintenance and formulation of cleaning products. In polymer and plastics processing, it can function as a processing solvent or diluent in resin or adhesive systems. Additionally, it is used as a calibration or reference solvent in analytical methods such as gas chromatography for method development and quality control, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4127.89
    methanol 1259.53
    isopropanol 6087.79
    water 0.0
    ethyl acetate 12960.44
    n-propanol 5467.06
    acetone 10522.78
    n-butanol 8265.93
    acetonitrile 3209.38
    DMF 3488.74
    toluene 8229.97
    isobutanol 5700.72
    1,4-dioxane 15034.72
    methyl acetate 5770.18
    THF 31471.11
    2-butanone 11665.85
    n-pentanol 5764.36
    sec-butanol 7810.0
    n-hexane 25098.64
    ethylene glycol 75.05
    NMP 3441.62
    cyclohexane 32205.84
    DMSO 4538.42
    n-butyl acetate 35647.76
    n-octanol 4168.62
    chloroform 12166.1
    n-propyl acetate 11326.04
    acetic acid 1084.4
    dichloromethane 12951.11
    cyclohexanone 19250.18
    propylene glycol 301.59
    isopropyl acetate 11491.93
    DMAc 3256.64
    2-ethoxyethanol 3376.82
    isopentanol 10007.45
    n-heptane 33500.33
    ethyl formate 3132.27
    1,2-dichloroethane 12754.01
    n-hexanol 15158.79
    2-methoxyethanol 3811.77
    isobutyl acetate 8035.84
    tetrachloromethane 3803.49
    n-pentyl acetate 9685.83
    transcutol 16360.03
    n-heptanol 4695.15
    ethylbenzene 4499.86
    MIBK 11062.68
    2-propoxyethanol 9420.5
    tert-butanol 12329.15
    MTBE 30606.69
    2-butoxyethanol 4619.02
    propionic acid 1719.76
    o-xylene 3878.55
    formic acid 50.55
    diethyl ether 34187.02
    m-xylene 4766.53
    p-xylene 5112.63
    chlorobenzene 5205.05
    dimethyl carbonate 826.11
    n-octane 6045.62
    formamide 123.78
    cyclopentanone 12446.9
    2-pentanone 15744.05
    anisole 4816.38
    cyclopentyl methyl ether 22471.41
    gamma-butyrolactone 6933.56
    1-methoxy-2-propanol 4536.37
    pyridine 10211.62
    3-pentanone 9860.33
    furfural 3164.48
    n-dodecane 1862.15
    diethylene glycol 1456.12
    diisopropyl ether 16396.72
    tert-amyl alcohol 11010.17
    acetylacetone 7404.57
    n-hexadecane 2263.2
    acetophenone 2824.47
    methyl propionate 5472.31
    isopentyl acetate 28114.11
    trichloroethylene 11588.9
    n-nonanol 4092.75
    cyclohexanol 10247.08
    benzyl alcohol 1765.0
    2-ethylhexanol 18352.82
    isooctanol 4821.9
    dipropyl ether 57307.49
    1,2-dichlorobenzene 3784.78
    ethyl lactate 1218.76
    propylene carbonate 4024.54
    n-methylformamide 939.72
    2-pentanol 9317.17
    n-pentane 14605.4
    1-propoxy-2-propanol 14310.82
    1-methoxy-2-propyl acetate 12032.98
    2-(2-methoxypropoxy) propanol 2849.93
    mesitylene 3695.85
    ε-caprolactone 11622.61
    p-cymene 5995.97
    epichlorohydrin 10971.38
    1,1,1-trichloroethane 14086.37
    2-aminoethanol 404.68
    morpholine-4-carbaldehyde 4334.0
    sulfolane 6165.92
    2,2,4-trimethylpentane 4180.12
    2-methyltetrahydrofuran 32496.57
    n-hexyl acetate 10570.19
    isooctane 4332.36
    2-(2-butoxyethoxy)ethanol 4879.11
    sec-butyl acetate 9569.26
    tert-butyl acetate 14740.08
    decalin 6501.4
    glycerin 259.19
    diglyme 10654.78
    acrylic acid 632.64
    isopropyl myristate 4727.4
    n-butyric acid 6518.18
    acetyl acetate 3932.73
    di(2-ethylhexyl) phthalate 1397.04
    ethyl propionate 8959.8
    nitromethane 2037.09
    1,2-diethoxyethane 28205.89
    benzonitrile 3223.82
    trioctyl phosphate 1660.06
    1-bromopropane 23338.54
    gamma-valerolactone 10030.66
    n-decanol 3004.19
    triethyl phosphate 3771.41
    4-methyl-2-pentanol 6176.1
    propionitrile 5539.88
    vinylene carbonate 2246.82
    1,1,2-trichlorotrifluoroethane 2943.75
    DMS 2441.48
    cumene 2878.12
    2-octanol 3943.15
    2-hexanone 14498.99
    octyl acetate 4300.76
    limonene 15247.06
    1,2-dimethoxyethane 14727.57
    ethyl orthosilicate 5140.89
    tributyl phosphate 2406.5
    diacetone alcohol 6798.59
    N,N-dimethylaniline 3054.6
    acrylonitrile 2999.36
    aniline 3934.72
    1,3-propanediol 1325.45
    bromobenzene 6950.5
    dibromomethane 13673.16
    1,1,2,2-tetrachloroethane 11143.97
    2-methyl-cyclohexyl acetate 8664.13
    tetrabutyl urea 2992.84
    diisobutyl methanol 10750.52
    2-phenylethanol 3720.46
    styrene 5097.18
    dioctyl adipate 3727.22
    dimethyl sulfate 882.14
    ethyl butyrate 24022.31
    methyl lactate 768.92
    butyl lactate 3213.15
    diethyl carbonate 7831.6
    propanediol butyl ether 1780.61
    triethyl orthoformate 14026.67
    p-tert-butyltoluene 5984.66
    methyl 4-tert-butylbenzoate 2464.48
    morpholine 18250.41
    tert-butylamine 14275.39
    n-dodecanol 2479.1
    dimethoxymethane 5575.41
    ethylene carbonate 3109.47
    cyrene 1200.89
    2-ethoxyethyl acetate 6927.1
    2-ethylhexyl acetate 25030.72
    1,2,4-trichlorobenzene 3558.68
    4-methylpyridine 10952.5
    dibutyl ether 30268.09
    2,6-dimethyl-4-heptanol 10750.52
    DEF 10247.27
    dimethyl isosorbide 4977.57
    tetrachloroethylene 6348.85
    eugenol 1598.37
    triacetin 3298.3
    span 80 3048.42
    1,4-butanediol 429.78
    1,1-dichloroethane 13870.06
    2-methyl-1-pentanol 6857.28
    methyl formate 650.61
    2-methyl-1-butanol 7889.78
    n-decane 4572.32
    butyronitrile 10816.62
    3,7-dimethyl-1-octanol 7227.51
    1-chlorooctane 8682.2
    1-chlorotetradecane 2642.11
    n-nonane 5753.22
    undecane 2714.64
    tert-butylcyclohexane 5709.32
    cyclooctane 10312.76
    cyclopentanol 6643.26
    tetrahydropyran 42988.57
    tert-amyl methyl ether 18159.38
    2,5,8-trioxanonane 4549.95
    1-hexene 33354.18
    2-isopropoxyethanol 3785.65
    2,2,2-trifluoroethanol 168.56
    methyl butyrate 11707.88

    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