3-Methyltridecane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6418-41-3

    Molecular formula
    C14H30

    SMILES
    CCCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 68.36%
    Sweet 31.09%
    Gassy 30.02%
    Oily 29.9%
    Fatty 25.9%
    Fishy 19.43%
    Fresh 17.55%
    Meaty 17.38%
    Odorless 16.65%
    Clean 16.08%

     

    Flavor
    Alkane 66.88%
    Waxy 42.56%
    Delicate 23.0%
    Gasoline 22.09%
    Slightly waxy 22.06%
    Mild 21.85%
    Incense 21.58%
    Citrus peel 21.55%
    Grapefruit peel 21.14%
    Bland 20.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    8.75 (weak base)

    Molecular weight
    198.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 101.21 ˚C est.

  • Synonyms

    • 3-Methyltridecane
    • Tridecane, 3-methyl-
    • Tridecane, 3-methyI-
    • DTXSID70880750
    • Tridecane, 3methyl
    • RefChem:94975
    • DTXCID301022111
    • 680-581-0
    • NLHRRMKILFRDGV-UHFFFAOYSA-N
    • 6418-41-3
    • 3-methyl-tridecane
    • SCHEMBL103505
    • SCHEMBL200672
    • SCHEMBL555207
    • SCHEMBL811663
    • SCHEMBL2418061
    • SCHEMBL5683987
    • SCHEMBL5984116
    • SCHEMBL6265728
    • SCHEMBL10588790
    • SCHEMBL14739521
    • SCHEMBL27592030
    • CHEBI:229407
    • LMFA11000408
    • AKOS006275657
    • DB-054623
    • NS00096365
    • 6418-41-3

  • Applications

    3-Methyltridecane, CAS 6418-41-3, is a branched aliphatic hydrocarbon that is primarily used as a non-polar solvent and diluent in a range of formulations. In perfumery and cosmetics, it may serve as a fragrance carrier or solvent to dissolve and blend aroma components while moderating evaporation. In coatings, inks, and adhesives, it functions as a processing solvent or diluent to adjust viscosity and drying behavior. It is also employed in industrial cleaning formulations as a hydrocarbon solvent for degreasing and residue removal. In polymer and plastics processing, it can act as a non-polar solvent or diluent for resin formulations and formulation testing. These applications arise from its non-polar character and suitable volatility, and usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1075.95
    methanol 289.76
    isopropanol 1794.71
    water 0.0
    ethyl acetate 6422.7
    n-propanol 1628.75
    acetone 3703.52
    n-butanol 2588.25
    acetonitrile 1055.88
    DMF 1323.33
    toluene 4670.47
    isobutanol 1767.52
    1,4-dioxane 7186.9
    methyl acetate 2574.61
    THF 14989.25
    2-butanone 5154.98
    n-pentanol 1925.23
    sec-butanol 2666.41
    n-hexane 10828.24
    ethylene glycol 20.8
    NMP 1800.69
    cyclohexane 16624.77
    DMSO 1794.8
    n-butyl acetate 17512.82
    n-octanol 1862.79
    chloroform 6787.52
    n-propyl acetate 5628.02
    acetic acid 382.58
    dichloromethane 7040.17
    cyclohexanone 9534.11
    propylene glycol 95.3
    isopropyl acetate 6122.34
    DMAc 1650.53
    2-ethoxyethanol 1291.1
    isopentanol 3457.32
    n-heptane 17238.56
    ethyl formate 1282.97
    1,2-dichloroethane 6630.53
    n-hexanol 4985.67
    2-methoxyethanol 1285.64
    isobutyl acetate 4394.72
    tetrachloromethane 2197.93
    n-pentyl acetate 5474.38
    transcutol 8610.55
    n-heptanol 1989.16
    ethylbenzene 2828.0
    MIBK 5412.17
    2-propoxyethanol 3627.37
    tert-butanol 4232.38
    MTBE 13921.7
    2-butoxyethanol 2127.36
    propionic acid 658.24
    o-xylene 2594.02
    formic acid 15.5
    diethyl ether 14387.58
    m-xylene 2855.59
    p-xylene 3244.43
    chlorobenzene 3008.31
    dimethyl carbonate 423.8
    n-octane 3365.22
    formamide 40.13
    cyclopentanone 6386.35
    2-pentanone 6804.94
    anisole 3086.62
    cyclopentyl methyl ether 11347.27
    gamma-butyrolactone 3528.29
    1-methoxy-2-propanol 1694.73
    pyridine 5321.78
    3-pentanone 4922.88
    furfural 1850.78
    n-dodecane 1037.83
    diethylene glycol 568.88
    diisopropyl ether 7952.05
    tert-amyl alcohol 4352.76
    acetylacetone 4011.71
    n-hexadecane 1291.79
    acetophenone 1953.88
    methyl propionate 2620.72
    isopentyl acetate 15013.54
    trichloroethylene 6572.74
    n-nonanol 1989.28
    cyclohexanol 4263.92
    benzyl alcohol 941.25
    2-ethylhexanol 7912.04
    isooctanol 2387.53
    dipropyl ether 29353.94
    1,2-dichlorobenzene 2608.13
    ethyl lactate 709.54
    propylene carbonate 2249.46
    n-methylformamide 319.43
    2-pentanol 3259.7
    n-pentane 5903.86
    1-propoxy-2-propanol 6152.83
    1-methoxy-2-propyl acetate 6622.54
    2-(2-methoxypropoxy) propanol 1751.22
    mesitylene 2360.38
    ε-caprolactone 6071.67
    p-cymene 3717.11
    epichlorohydrin 5854.94
    1,1,1-trichloroethane 8248.5
    2-aminoethanol 116.04
    morpholine-4-carbaldehyde 2223.51
    sulfolane 3591.82
    2,2,4-trimethylpentane 2146.22
    2-methyltetrahydrofuran 15255.82
    n-hexyl acetate 5530.14
    isooctane 2136.31
    2-(2-butoxyethoxy)ethanol 2676.53
    sec-butyl acetate 5492.96
    tert-butyl acetate 8362.5
    decalin 3899.89
    glycerin 99.06
    diglyme 6252.92
    acrylic acid 249.12
    isopropyl myristate 3036.91
    n-butyric acid 2484.66
    acetyl acetate 2363.03
    di(2-ethylhexyl) phthalate 927.56
    ethyl propionate 4987.21
    nitromethane 775.64
    1,2-diethoxyethane 15015.32
    benzonitrile 1746.12
    trioctyl phosphate 1009.37
    1-bromopropane 11318.84
    gamma-valerolactone 4791.74
    n-decanol 1474.27
    triethyl phosphate 2702.76
    4-methyl-2-pentanol 2539.62
    propionitrile 2124.28
    vinylene carbonate 1277.48
    1,1,2-trichlorotrifluoroethane 1593.91
    DMS 1612.3
    cumene 1889.02
    2-octanol 1880.06
    2-hexanone 6754.56
    octyl acetate 2619.81
    limonene 8942.13
    1,2-dimethoxyethane 6704.73
    ethyl orthosilicate 3491.7
    tributyl phosphate 1513.48
    diacetone alcohol 3536.67
    N,N-dimethylaniline 2084.88
    acrylonitrile 1152.73
    aniline 1978.5
    1,3-propanediol 421.69
    bromobenzene 4302.94
    dibromomethane 6994.44
    1,1,2,2-tetrachloroethane 6861.06
    2-methyl-cyclohexyl acetate 5612.15
    tetrabutyl urea 1913.86
    diisobutyl methanol 5795.19
    2-phenylethanol 1941.41
    styrene 3170.25
    dioctyl adipate 2575.43
    dimethyl sulfate 559.52
    ethyl butyrate 13952.11
    methyl lactate 394.19
    butyl lactate 1733.06
    diethyl carbonate 5104.45
    propanediol butyl ether 863.43
    triethyl orthoformate 9112.97
    p-tert-butyltoluene 3794.29
    methyl 4-tert-butylbenzoate 1891.15
    morpholine 7901.26
    tert-butylamine 4988.21
    n-dodecanol 1232.77
    dimethoxymethane 2277.16
    ethylene carbonate 1691.76
    cyrene 799.07
    2-ethoxyethyl acetate 4056.97
    2-ethylhexyl acetate 13926.06
    1,2,4-trichlorobenzene 2559.23
    4-methylpyridine 5520.85
    dibutyl ether 15458.36
    2,6-dimethyl-4-heptanol 5795.19
    DEF 4922.35
    dimethyl isosorbide 3497.4
    tetrachloroethylene 3687.33
    eugenol 1106.98
    triacetin 2257.62
    span 80 1798.24
    1,4-butanediol 140.91
    1,1-dichloroethane 6808.47
    2-methyl-1-pentanol 2664.63
    methyl formate 243.27
    2-methyl-1-butanol 2868.86
    n-decane 2467.23
    butyronitrile 4146.39
    3,7-dimethyl-1-octanol 3634.69
    1-chlorooctane 4799.29
    1-chlorotetradecane 1582.17
    n-nonane 3052.24
    undecane 1482.43
    tert-butylcyclohexane 3319.6
    cyclooctane 5749.07
    cyclopentanol 2716.32
    tetrahydropyran 19908.04
    tert-amyl methyl ether 9084.37
    2,5,8-trioxanonane 2997.03
    1-hexene 13806.26
    2-isopropoxyethanol 1583.78
    2,2,2-trifluoroethanol 73.31
    methyl butyrate 6104.9

    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