5-Methyldodecane

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  • Identifiers

    CAS number
    17453-93-9

    Molecular formula
    C13H28

    SMILES
    CCCCCCCC(C)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 55.7%
    Sweet 40.27%
    Gassy 37.96%
    Oily 28.89%
    Fresh 21.48%
    Citrus 21.14%
    Fatty 20.92%
    Fishy 18.45%
    Ethereal 17.32%
    Clean 17.23%

     

    Flavor
    Alkane 66.01%
    Waxy 37.44%
    Gasoline 24.76%
    Delicate 23.14%
    Incense 21.72%
    Slightly waxy 21.68%
    Citrus peel 21.66%
    Grapefruit peel 21.26%
    Coumarinic 21.05%
    Leathery 21.05%

     

    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.
    224°C

    Flash point

    • 88.52 ˚C est.

  • Synonyms

    • 5-Methyldodecane
    • Dodecane, 5-methyl-
    • 17453-93-9
    • DTXSID40334013
    • RefChem:304259
    • DTXCID50285103
    • NVINYZLICSJRSI-UHFFFAOYSA-N
    • SCHEMBL199873
    • SCHEMBL201706
    • SCHEMBL873562
    • SCHEMBL4259961
    • SCHEMBL5985478
    • SCHEMBL6227325
    • SCHEMBL9747272
    • SCHEMBL19922801
    • SCHEMBL28154790
    • 17453-93-9

  • Applications

    5-Methyldodecane (CAS 17453-93-9) is a branched hydrocarbon solvent commonly used as a non-polar diluent in industrial formulations. It may serve as a solvent in paints, coatings, inks, and adhesives, helping to dissolve or dilute components during formulation and processing. In perfumery and cosmetics, it can function as a fragrance solvent or diluent, and may serve as a carrier for volatile aroma chemicals. It can also be employed in household and industrial cleansers as a non-polar solvent for degreasing and formulation of cleaners. In polymer and plastics processing, it may be used as a processing aid or additive solvent to adjust viscosity and compatibility of formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1974.83
    methanol 544.91
    isopropanol 3135.21
    water 0.0
    ethyl acetate 7865.61
    n-propanol 2832.71
    acetone 5969.51
    n-butanol 4389.38
    acetonitrile 1766.17
    DMF 2232.18
    toluene 5632.1
    isobutanol 3099.44
    1,4-dioxane 9215.17
    methyl acetate 3571.56
    THF 19960.72
    2-butanone 7178.84
    n-pentanol 3136.48
    sec-butanol 4368.02
    n-hexane 15586.66
    ethylene glycol 42.96
    NMP 2485.05
    cyclohexane 20219.43
    DMSO 2800.51
    n-butyl acetate 22434.27
    n-octanol 2830.65
    chloroform 8344.71
    n-propyl acetate 6921.33
    acetic acid 616.0
    dichloromethane 8569.67
    cyclohexanone 12549.12
    propylene glycol 181.07
    isopropyl acetate 7408.61
    DMAc 2253.82
    2-ethoxyethanol 1860.33
    isopentanol 5556.05
    n-heptane 22246.77
    ethyl formate 1858.11
    1,2-dichloroethane 8304.59
    n-hexanol 8591.81
    2-methoxyethanol 2075.29
    isobutyl acetate 5313.09
    tetrachloromethane 2634.52
    n-pentyl acetate 6584.77
    transcutol 10521.22
    n-heptanol 3014.08
    ethylbenzene 3241.57
    MIBK 7123.76
    2-propoxyethanol 5655.77
    tert-butanol 6951.67
    MTBE 19078.14
    2-butoxyethanol 2994.34
    propionic acid 1024.95
    o-xylene 3014.23
    formic acid 26.12
    diethyl ether 18896.54
    m-xylene 3441.49
    p-xylene 3722.23
    chlorobenzene 3695.17
    dimethyl carbonate 600.21
    n-octane 4365.18
    formamide 66.53
    cyclopentanone 8651.44
    2-pentanone 9570.54
    anisole 3465.34
    cyclopentyl methyl ether 14158.55
    gamma-butyrolactone 4874.02
    1-methoxy-2-propanol 2644.59
    pyridine 6593.7
    3-pentanone 6386.31
    furfural 2345.1
    n-dodecane 1453.36
    diethylene glycol 908.46
    diisopropyl ether 10087.56
    tert-amyl alcohol 6675.18
    acetylacetone 5155.61
    n-hexadecane 1776.43
    acetophenone 2150.85
    methyl propionate 3527.89
    isopentyl acetate 18578.88
    trichloroethylene 8100.0
    n-nonanol 2838.13
    cyclohexanol 6139.41
    benzyl alcohol 1219.11
    2-ethylhexanol 11468.94
    isooctanol 3271.04
    dipropyl ether 35590.18
    1,2-dichlorobenzene 2957.15
    ethyl lactate 898.4
    propylene carbonate 2965.13
    n-methylformamide 547.09
    2-pentanol 5222.4
    n-pentane 8558.25
    1-propoxy-2-propanol 8881.8
    1-methoxy-2-propyl acetate 7836.83
    2-(2-methoxypropoxy) propanol 2128.31
    mesitylene 2767.02
    ε-caprolactone 7616.8
    p-cymene 4425.61
    epichlorohydrin 7434.13
    1,1,1-trichloroethane 10114.33
    2-aminoethanol 218.15
    morpholine-4-carbaldehyde 2935.51
    sulfolane 4647.43
    2,2,4-trimethylpentane 2793.45
    2-methyltetrahydrofuran 19898.0
    n-hexyl acetate 7221.68
    isooctane 2888.72
    2-(2-butoxyethoxy)ethanol 3452.53
    sec-butyl acetate 6197.58
    tert-butyl acetate 9813.27
    decalin 4736.3
    glycerin 173.8
    diglyme 7376.82
    acrylic acid 409.74
    isopropyl myristate 3545.83
    n-butyric acid 3731.33
    acetyl acetate 2672.04
    di(2-ethylhexyl) phthalate 1129.93
    ethyl propionate 5779.81
    nitromethane 1208.68
    1,2-diethoxyethane 17206.17
    benzonitrile 2334.46
    trioctyl phosphate 1289.5
    1-bromopropane 14764.89
    gamma-valerolactone 6521.52
    n-decanol 2135.91
    triethyl phosphate 2871.98
    4-methyl-2-pentanol 3809.59
    propionitrile 3311.75
    vinylene carbonate 1650.3
    1,1,2-trichlorotrifluoroethane 2089.13
    DMS 1886.19
    cumene 2172.57
    2-octanol 2736.2
    2-hexanone 9095.29
    octyl acetate 3191.16
    limonene 10764.12
    1,2-dimethoxyethane 8834.75
    ethyl orthosilicate 3737.46
    tributyl phosphate 1819.8
    diacetone alcohol 4574.67
    N,N-dimethylaniline 2355.53
    acrylonitrile 1884.73
    aniline 2614.33
    1,3-propanediol 717.05
    bromobenzene 5076.61
    dibromomethane 8888.65
    1,1,2,2-tetrachloroethane 8194.16
    2-methyl-cyclohexyl acetate 6123.45
    tetrabutyl urea 2321.12
    diisobutyl methanol 7298.75
    2-phenylethanol 2530.74
    styrene 3671.51
    dioctyl adipate 2975.33
    dimethyl sulfate 708.68
    ethyl butyrate 15388.29
    methyl lactate 562.8
    butyl lactate 2313.69
    diethyl carbonate 5532.08
    propanediol butyl ether 1273.85
    triethyl orthoformate 9641.78
    p-tert-butyltoluene 4524.61
    methyl 4-tert-butylbenzoate 2041.73
    morpholine 10444.32
    tert-butylamine 8028.34
    n-dodecanol 1794.29
    dimethoxymethane 3277.19
    ethylene carbonate 2178.64
    cyrene 978.55
    2-ethoxyethyl acetate 4768.56
    2-ethylhexyl acetate 16843.74
    1,2,4-trichlorobenzene 2839.57
    4-methylpyridine 7137.49
    dibutyl ether 19668.27
    2,6-dimethyl-4-heptanol 7298.75
    DEF 6368.93
    dimethyl isosorbide 3960.01
    tetrachloroethylene 4457.88
    eugenol 1322.32
    triacetin 2582.57
    span 80 2310.18
    1,4-butanediol 248.04
    1,1-dichloroethane 9046.9
    2-methyl-1-pentanol 3989.12
    methyl formate 400.23
    2-methyl-1-butanol 4521.99
    n-decane 3343.72
    butyronitrile 6208.3
    3,7-dimethyl-1-octanol 4998.43
    1-chlorooctane 6403.14
    1-chlorotetradecane 2047.46
    n-nonane 4200.82
    undecane 2077.08
    tert-butylcyclohexane 4126.13
    cyclooctane 7081.33
    cyclopentanol 4173.54
    tetrahydropyran 25378.29
    tert-amyl methyl ether 11550.78
    2,5,8-trioxanonane 3476.61
    1-hexene 19790.46
    2-isopropoxyethanol 2239.87
    2,2,2-trifluoroethanol 108.42
    methyl butyrate 7525.59

    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