4-Methylpentadecane

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  • Identifiers

    CAS number
    2801-87-8

    Molecular formula
    C16H34

    SMILES
    CCCCCCCCCCCC(C)CCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 74.58%
    Oily 33.07%
    Fatty 29.67%
    Sweet 27.33%
    Gassy 25.03%
    Fishy 19.64%
    Odorless 18.93%
    Meaty 17.28%
    Burnt 16.23%
    Clean 16.09%

     

    Flavor
    Alkane 60.81%
    Waxy 41.14%
    Delicate 23.02%
    Bland 22.67%
    Mild 22.21%
    Slightly waxy 21.93%
    Incense 20.97%
    Citrus peel 20.91%
    Grapefruit peel 20.58%
    Leathery 20.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.6

    pKa est.
    8.5 (weak base)

    Molecular weight
    226.44 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    277°C

    Flash point

    • 121.07 ˚C est.

  • Synonyms

    • 4-METHYLPENTADECANE
    • Pentadecane, 4-methyl-
    • 2801-87-8
    • DTXSID90950702
    • RefChem:99914
    • DTXCID001378848
    • ODDVOCXSLXTIIU-UHFFFAOYSA-N
    • 4-Methylpentadecan
    • 4-methyl-pentadecane
    • SCHEMBL200499
    • SCHEMBL5090198
    • SCHEMBL5984698
    • SCHEMBL7109314
    • SCHEMBL9769732
    • SCHEMBL10689088
    • SCHEMBL19058823
    • CHEBI:88650
    • Q27160536
    • 2801-87-8

  • Applications

    4-Methylpentadecane (CAS 2801-87-8) is a branched long-chain hydrocarbon commonly used as a non-polar solvent and diluent in industrial formulations, including coatings, inks, and cleaning products; it may act as a fragrance carrier or diluent in perfumery and cosmetics; in lubricant technology it can serve as a base oil or viscosity modifier in industrial lubricants and metalworking fluids; it is used as a processing aid or diluent in polymers, plastics, and adhesives formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1501.74
    methanol 427.75
    isopropanol 2492.06
    water 0.0
    ethyl acetate 8505.48
    n-propanol 2301.17
    acetone 5980.21
    n-butanol 3569.34
    acetonitrile 1391.34
    DMF 2139.04
    toluene 5284.08
    isobutanol 2524.72
    1,4-dioxane 9031.02
    methyl acetate 3537.48
    THF 20754.17
    2-butanone 6968.37
    n-pentanol 2537.21
    sec-butanol 3460.77
    n-hexane 12192.2
    ethylene glycol 26.87
    NMP 2970.67
    cyclohexane 22911.23
    DMSO 2767.43
    n-butyl acetate 21181.09
    n-octanol 2386.25
    chloroform 8205.06
    n-propyl acetate 7581.57
    acetic acid 582.49
    dichloromethane 8617.81
    cyclohexanone 14137.27
    propylene glycol 119.06
    isopropyl acetate 8302.5
    DMAc 2582.85
    2-ethoxyethanol 1723.69
    isopentanol 4806.75
    n-heptane 19934.24
    ethyl formate 1846.16
    1,2-dichloroethane 8456.98
    n-hexanol 6253.75
    2-methoxyethanol 1817.02
    isobutyl acetate 5902.58
    tetrachloromethane 3077.2
    n-pentyl acetate 7497.0
    transcutol 10052.39
    n-heptanol 2604.15
    ethylbenzene 2958.91
    MIBK 7421.42
    2-propoxyethanol 4448.36
    tert-butanol 5687.58
    MTBE 16338.97
    2-butoxyethanol 2799.21
    propionic acid 962.83
    o-xylene 3011.81
    formic acid 23.2
    diethyl ether 18293.38
    m-xylene 3226.78
    p-xylene 3629.44
    chlorobenzene 3679.05
    dimethyl carbonate 630.26
    n-octane 3921.68
    formamide 61.08
    cyclopentanone 9672.85
    2-pentanone 9932.68
    anisole 3383.73
    cyclopentyl methyl ether 15475.99
    gamma-butyrolactone 5354.7
    1-methoxy-2-propanol 2380.85
    pyridine 6310.73
    3-pentanone 6820.37
    furfural 2445.29
    n-dodecane 1164.63
    diethylene glycol 708.43
    diisopropyl ether 9938.79
    tert-amyl alcohol 5408.85
    acetylacetone 5505.81
    n-hexadecane 1447.27
    acetophenone 2404.55
    methyl propionate 3773.46
    isopentyl acetate 17997.41
    trichloroethylene 8169.72
    n-nonanol 2501.69
    cyclohexanol 6057.1
    benzyl alcohol 1133.42
    2-ethylhexanol 9178.11
    isooctanol 3138.09
    dipropyl ether 34646.2
    1,2-dichlorobenzene 3187.31
    ethyl lactate 939.39
    propylene carbonate 3245.82
    n-methylformamide 527.55
    2-pentanol 4304.44
    n-pentane 7739.43
    1-propoxy-2-propanol 7355.24
    1-methoxy-2-propyl acetate 7980.91
    2-(2-methoxypropoxy) propanol 2055.45
    mesitylene 2831.05
    ε-caprolactone 8545.35
    p-cymene 4169.62
    epichlorohydrin 7784.96
    1,1,1-trichloroethane 10472.35
    2-aminoethanol 154.78
    morpholine-4-carbaldehyde 3154.12
    sulfolane 5381.95
    2,2,4-trimethylpentane 2694.41
    2-methyltetrahydrofuran 20386.31
    n-hexyl acetate 7277.6
    isooctane 2582.28
    2-(2-butoxyethoxy)ethanol 3162.5
    sec-butyl acetate 7087.55
    tert-butyl acetate 11011.32
    decalin 4446.8
    glycerin 126.62
    diglyme 7551.44
    acrylic acid 357.62
    isopropyl myristate 3647.99
    n-butyric acid 3739.04
    acetyl acetate 3144.42
    di(2-ethylhexyl) phthalate 1121.17
    ethyl propionate 6349.97
    nitromethane 1256.29
    1,2-diethoxyethane 17067.24
    benzonitrile 2103.56
    trioctyl phosphate 1299.14
    1-bromopropane 13278.93
    gamma-valerolactone 7120.38
    n-decanol 1802.47
    triethyl phosphate 3339.77
    4-methyl-2-pentanol 3247.41
    propionitrile 2723.86
    vinylene carbonate 1773.37
    1,1,2-trichlorotrifluoroethane 2206.78
    DMS 2064.64
    cumene 2058.1
    2-octanol 2451.49
    2-hexanone 8512.9
    octyl acetate 3270.47
    limonene 10757.68
    1,2-dimethoxyethane 8573.44
    ethyl orthosilicate 4260.13
    tributyl phosphate 1872.89
    diacetone alcohol 4774.95
    N,N-dimethylaniline 2418.38
    acrylonitrile 1468.56
    aniline 2470.18
    1,3-propanediol 578.47
    bromobenzene 5181.55
    dibromomethane 8596.56
    1,1,2,2-tetrachloroethane 8551.66
    2-methyl-cyclohexyl acetate 6806.85
    tetrabutyl urea 2466.75
    diisobutyl methanol 6931.71
    2-phenylethanol 2169.15
    styrene 3286.85
    dioctyl adipate 3138.25
    dimethyl sulfate 868.67
    ethyl butyrate 16729.45
    methyl lactate 561.59
    butyl lactate 2363.64
    diethyl carbonate 6174.32
    propanediol butyl ether 1125.01
    triethyl orthoformate 10913.53
    p-tert-butyltoluene 4269.61
    methyl 4-tert-butylbenzoate 2439.53
    morpholine 10501.75
    tert-butylamine 6491.95
    n-dodecanol 1488.67
    dimethoxymethane 3386.5
    ethylene carbonate 2386.6
    cyrene 1023.6
    2-ethoxyethyl acetate 5122.95
    2-ethylhexyl acetate 16372.82
    1,2,4-trichlorobenzene 3136.14
    4-methylpyridine 6559.12
    dibutyl ether 18656.17
    2,6-dimethyl-4-heptanol 6931.71
    DEF 7050.75
    dimethyl isosorbide 4091.35
    tetrachloroethylene 4873.54
    eugenol 1356.9
    triacetin 3040.52
    span 80 2112.4
    1,4-butanediol 194.65
    1,1-dichloroethane 8804.76
    2-methyl-1-pentanol 3338.55
    methyl formate 397.74
    2-methyl-1-butanol 3805.42
    n-decane 2924.09
    butyronitrile 5238.63
    3,7-dimethyl-1-octanol 4416.85
    1-chlorooctane 5779.7
    1-chlorotetradecane 1829.85
    n-nonane 3626.28
    undecane 1689.52
    tert-butylcyclohexane 3764.62
    cyclooctane 7401.29
    cyclopentanol 4077.54
    tetrahydropyran 26390.02
    tert-amyl methyl ether 10876.8
    2,5,8-trioxanonane 3547.14
    1-hexene 15082.02
    2-isopropoxyethanol 2036.68
    2,2,2-trifluoroethanol 122.95
    methyl butyrate 8021.28

    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