3-Methyltetradecane

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  • Identifiers

    CAS number
    18435-22-8

    Molecular formula
    C15H32

    SMILES
    CCCCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 72.75%
    Oily 30.77%
    Fatty 28.54%
    Sweet 27.79%
    Gassy 26.73%
    Fishy 19.37%
    Odorless 17.96%
    Meaty 17.59%
    Fresh 15.87%
    Clean 15.64%

     

    Flavor
    Alkane 66.3%
    Waxy 44.45%
    Delicate 22.85%
    Mild 22.53%
    Slightly waxy 22.14%
    Bland 22.06%
    Incense 21.39%
    Citrus peel 21.36%
    Grapefruit peel 20.92%
    Coumarinic 20.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    8.71 (weak base)

    Molecular weight
    212.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 264.00 to 265.00 °C. @ 760.00 mm Hg

    Flash point

    • 112.32 ˚C est.

  • Synonyms

    • 3-Methyltetradecane
    • Tetradecane, 3-methyl-
    • 3-Methyl-Tetradecane
    • MSN3UE2UV3
    • UNII-MSN3UE2UV3
    • DTXSID10897342
    • Tetradecane, 3methyl
    • RefChem:94966
    • DTXCID101326707
    • HXUYUZCPGPKNGS-UHFFFAOYSA-N
    • 18435-22-8
    • 3-methyl tetradecane
    • SCHEMBL101543
    • SCHEMBL104583
    • SCHEMBL347543
    • SCHEMBL671909
    • SCHEMBL5049912
    • SCHEMBL5683912
    • SCHEMBL5985829
    • CHEBI:184718
    • LMFA11000405
    • G77645
    • Q67879605
    • 18435-22-8

  • Applications

    3-Methyltetradecane is a branched C15 hydrocarbon that is typically used as a solvent or diluent in industrial formulations, including coatings, inks, and cleaning products; it can function as a carrier oil or diluent in cosmetics and personal care preparations; it may serve as a process oil or lubricating component in polymer and plastics processing to improve flow and processing characteristics; in perfumery and fragrance applications, long-chain hydrocarbons like this are used as carriers and can help modulate evaporation of volatile notes; and it may be used as a reference material or calibrant in analytical techniques such as gas chromatography for method development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 742.52
    methanol 200.94
    isopropanol 1272.84
    water 0.0
    ethyl acetate 5378.93
    n-propanol 1186.72
    acetone 2954.85
    n-butanol 1927.73
    acetonitrile 770.29
    DMF 1077.06
    toluene 3760.54
    isobutanol 1310.04
    1,4-dioxane 5805.83
    methyl acetate 2123.99
    THF 12603.3
    2-butanone 4089.24
    n-pentanol 1439.68
    sec-butanol 1950.8
    n-hexane 8200.81
    ethylene glycol 15.19
    NMP 1730.47
    cyclohexane 14476.14
    DMSO 1471.19
    n-butyl acetate 14347.56
    n-octanol 1533.83
    chloroform 5805.88
    n-propyl acetate 4804.54
    acetic acid 311.14
    dichloromethane 5850.53
    cyclohexanone 8290.19
    propylene glycol 70.8
    isopropyl acetate 5220.79
    DMAc 1489.09
    2-ethoxyethanol 1006.34
    isopentanol 2668.64
    n-heptane 14276.0
    ethyl formate 1048.13
    1,2-dichloroethane 5540.0
    n-hexanol 3710.38
    2-methoxyethanol 971.74
    isobutyl acetate 3785.73
    tetrachloromethane 2053.79
    n-pentyl acetate 4879.63
    transcutol 6991.08
    n-heptanol 1625.41
    ethylbenzene 2310.35
    MIBK 4555.04
    2-propoxyethanol 2760.9
    tert-butanol 3185.55
    MTBE 10474.38
    2-butoxyethanol 1762.13
    propionic acid 543.8
    o-xylene 2259.62
    formic acid 12.36
    diethyl ether 11161.86
    m-xylene 2389.8
    p-xylene 2773.48
    chlorobenzene 2592.76
    dimethyl carbonate 390.51
    n-octane 2856.61
    formamide 32.28
    cyclopentanone 5670.6
    2-pentanone 5590.73
    anisole 2590.95
    cyclopentyl methyl ether 9577.7
    gamma-butyrolactone 3154.5
    1-methoxy-2-propanol 1346.06
    pyridine 4305.5
    3-pentanone 4217.66
    furfural 1660.62
    n-dodecane 875.57
    diethylene glycol 437.92
    diisopropyl ether 6423.99
    tert-amyl alcohol 3318.18
    acetylacetone 3455.14
    n-hexadecane 1090.37
    acetophenone 1755.15
    methyl propionate 2256.61
    isopentyl acetate 12224.87
    trichloroethylene 5647.81
    n-nonanol 1650.52
    cyclohexanol 3515.73
    benzyl alcohol 788.69
    2-ethylhexanol 6147.78
    isooctanol 2035.18
    dipropyl ether 23792.9
    1,2-dichlorobenzene 2376.09
    ethyl lactate 633.77
    propylene carbonate 2084.4
    n-methylformamide 260.13
    2-pentanol 2477.54
    n-pentane 4698.29
    1-propoxy-2-propanol 4802.1
    1-methoxy-2-propyl acetate 5545.47
    2-(2-methoxypropoxy) propanol 1518.95
    mesitylene 2059.43
    ε-caprolactone 5336.43
    p-cymene 3203.51
    epichlorohydrin 4994.4
    1,1,1-trichloroethane 7185.86
    2-aminoethanol 86.14
    morpholine-4-carbaldehyde 1952.9
    sulfolane 3360.53
    2,2,4-trimethylpentane 1803.27
    2-methyltetrahydrofuran 12416.16
    n-hexyl acetate 4694.73
    isooctane 1752.66
    2-(2-butoxyethoxy)ethanol 2220.67
    sec-butyl acetate 4733.32
    tert-butyl acetate 7206.58
    decalin 3327.22
    glycerin 78.18
    diglyme 5310.45
    acrylic acid 208.3
    isopropyl myristate 2678.36
    n-butyric acid 2049.02
    acetyl acetate 2108.07
    di(2-ethylhexyl) phthalate 838.74
    ethyl propionate 4303.28
    nitromethane 655.44
    1,2-diethoxyethane 11860.6
    benzonitrile 1469.42
    trioctyl phosphate 905.21
    1-bromopropane 8961.26
    gamma-valerolactone 4162.62
    n-decanol 1217.76
    triethyl phosphate 2512.04
    4-methyl-2-pentanol 2005.9
    propionitrile 1608.42
    vinylene carbonate 1172.64
    1,1,2-trichlorotrifluoroethane 1406.37
    DMS 1478.08
    cumene 1624.79
    2-octanol 1594.26
    2-hexanone 5340.77
    octyl acetate 2316.28
    limonene 7668.8
    1,2-dimethoxyethane 5330.59
    ethyl orthosilicate 3173.61
    tributyl phosphate 1360.05
    diacetone alcohol 3039.06
    N,N-dimethylaniline 1829.6
    acrylonitrile 879.09
    aniline 1644.72
    1,3-propanediol 316.59
    bromobenzene 3741.52
    dibromomethane 5733.55
    1,1,2,2-tetrachloroethane 6044.64
    2-methyl-cyclohexyl acetate 4983.27
    tetrabutyl urea 1748.16
    diisobutyl methanol 4878.28
    2-phenylethanol 1560.9
    styrene 2561.76
    dioctyl adipate 2341.84
    dimethyl sulfate 548.25
    ethyl butyrate 11989.35
    methyl lactate 343.76
    butyl lactate 1536.57
    diethyl carbonate 4642.02
    propanediol butyl ether 731.92
    triethyl orthoformate 8070.12
    p-tert-butyltoluene 3296.1
    methyl 4-tert-butylbenzoate 1806.91
    morpholine 6328.88
    tert-butylamine 3772.34
    n-dodecanol 1027.24
    dimethoxymethane 1856.33
    ethylene carbonate 1543.91
    cyrene 740.75
    2-ethoxyethyl acetate 3505.56
    2-ethylhexyl acetate 11479.57
    1,2,4-trichlorobenzene 2365.85
    4-methylpyridine 4387.66
    dibutyl ether 12594.93
    2,6-dimethyl-4-heptanol 4878.28
    DEF 4274.54
    dimethyl isosorbide 3159.15
    tetrachloroethylene 3318.68
    eugenol 1013.83
    triacetin 2147.97
    span 80 1548.82
    1,4-butanediol 109.36
    1,1-dichloroethane 5638.95
    2-methyl-1-pentanol 2026.15
    methyl formate 204.2
    2-methyl-1-butanol 2170.3
    n-decane 2096.09
    butyronitrile 3130.9
    3,7-dimethyl-1-octanol 2993.43
    1-chlorooctane 4068.19
    1-chlorotetradecane 1357.32
    n-nonane 2569.35
    undecane 1253.1
    tert-butylcyclohexane 2815.33
    cyclooctane 5010.95
    cyclopentanol 2297.58
    tetrahydropyran 16169.37
    tert-amyl methyl ether 7156.38
    2,5,8-trioxanonane 2647.71
    1-hexene 9993.78
    2-isopropoxyethanol 1271.36
    2,2,2-trifluoroethanol 68.61
    methyl butyrate 5209.47

    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