3-Methylnonadecane

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  • Identifiers

    CAS number
    6418-45-7

    Molecular formula
    C20H42

    SMILES
    CCCCCCCCCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 82.01%
    Fatty 36.26%
    Oily 32.56%
    Odorless 22.24%
    Fishy 19.09%
    Sweet 17.95%
    Meaty 17.64%
    Gassy 16.8%
    Savory 14.66%
    Burnt 14.32%

     

    Flavor
    Alkane 63.21%
    Waxy 48.98%
    Bland 25.4%
    Mild 24.18%
    Delicate 21.95%
    Slightly waxy 21.92%
    Incense 20.45%
    Citrus peel 20.37%
    Grapefruit peel 19.82%
    Bay oil 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.8

    pKa est.
    8.48 (weak base)

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 154.27 ˚C est.

  • Synonyms

    • 3-Methylnonadecane
    • Nonadecane, 3-methyl-
    • DTXSID70982703
    • RefChem:94933
    • DTXCID701409963
    • NYRRMADCQLTNBX-UHFFFAOYSA-N
    • 6418-45-7
    • 3-me-thylnonadecane
    • SCHEMBL101629
    • SCHEMBL101939
    • SCHEMBL4917806
    • SCHEMBL4964979
    • SCHEMBL5985132
    • SCHEMBL6761347
    • SCHEMBL9314471
    • SCHEMBL18660192
    • SCHEMBL27038968
    • SCHEMBL28271640
    • LMFA11000400
    • DB-054624
    • 6418-45-7

  • Applications

    3-Methylnonadecane (CAS 6418-45-7) is a long-chain saturated hydrocarbon used in industrial formulations as a nonpolar solvent/diluent and as a fragrance-related ingredient. In perfumery and cosmetics, it may act as an odorant component or fixative to help extend scent, and can serve as a carrier/diluent for fragrance formulations and oil-based personal care products. In coatings, inks, and adhesives, it functions as a nonpolar solvent or diluent to aid processing and formulation stability. In polymers and plastics, it can be used as a processing aid or carrier liquid in polymer formulations, affecting processing characteristics and viscosity. In general manufacturing, it may be employed as a light lubricant or processing aid in mixed formulations, and it can serve as a reference hydrocarbon in analytical methods such as GC for long-chain alkanes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 73.0
    methanol 23.54
    isopropanol 145.87
    water 0.0
    ethyl acetate 1514.59
    n-propanol 156.09
    acetone 614.71
    n-butanol 299.08
    acetonitrile 112.03
    DMF 358.2
    toluene 1082.58
    isobutanol 215.05
    1,4-dioxane 1553.53
    methyl acetate 560.68
    THF 3994.71
    2-butanone 979.78
    n-pentanol 221.69
    sec-butanol 293.47
    n-hexane 1297.48
    ethylene glycol 2.37
    NMP 1056.63
    cyclohexane 4651.53
    DMSO 446.46
    n-butyl acetate 3688.93
    n-octanol 406.75
    chloroform 2201.62
    n-propyl acetate 1612.09
    acetic acid 77.77
    dichloromethane 2129.67
    cyclohexanone 3167.38
    propylene glycol 11.95
    isopropyl acetate 1828.11
    DMAc 782.12
    2-ethoxyethanol 225.31
    isopentanol 497.47
    n-heptane 3523.29
    ethyl formate 295.65
    1,2-dichloroethane 1878.86
    n-hexanol 541.96
    2-methoxyethanol 211.67
    isobutyl acetate 1403.17
    tetrachloromethane 981.11
    n-pentyl acetate 2068.37
    transcutol 2062.16
    n-heptanol 411.71
    ethylbenzene 752.65
    MIBK 1617.46
    2-propoxyethanol 579.58
    tert-butanol 525.38
    MTBE 2111.51
    2-butoxyethanol 534.66
    propionic acid 139.42
    o-xylene 903.65
    formic acid 3.81
    diethyl ether 2018.53
    m-xylene 848.19
    p-xylene 1056.14
    chlorobenzene 1012.16
    dimethyl carbonate 185.52
    n-octane 782.02
    formamide 10.13
    cyclopentanone 2345.19
    2-pentanone 1574.26
    anisole 1005.33
    cyclopentyl methyl ether 3467.08
    gamma-butyrolactone 1550.97
    1-methoxy-2-propanol 342.52
    pyridine 1176.86
    3-pentanone 1408.59
    furfural 782.99
    n-dodecane 235.31
    diethylene glycol 94.78
    diisopropyl ether 1679.28
    tert-amyl alcohol 665.62
    acetylacetone 1391.9
    n-hexadecane 302.69
    acetophenone 925.75
    methyl propionate 751.49
    isopentyl acetate 3679.47
    trichloroethylene 2432.7
    n-nonanol 475.28
    cyclohexanol 986.95
    benzyl alcohol 264.27
    2-ethylhexanol 1235.43
    isooctanol 565.3
    dipropyl ether 5845.87
    1,2-dichlorobenzene 1155.09
    ethyl lactate 273.99
    propylene carbonate 1065.72
    n-methylformamide 68.25
    2-pentanol 466.56
    n-pentane 807.93
    1-propoxy-2-propanol 1187.01
    1-methoxy-2-propyl acetate 2103.6
    2-(2-methoxypropoxy) propanol 623.89
    mesitylene 829.8
    ε-caprolactone 2182.98
    p-cymene 1218.36
    epichlorohydrin 1880.55
    1,1,1-trichloroethane 3080.83
    2-aminoethanol 14.26
    morpholine-4-carbaldehyde 851.33
    sulfolane 2047.34
    2,2,4-trimethylpentane 529.03
    2-methyltetrahydrofuran 3774.04
    n-hexyl acetate 1787.18
    isooctane 464.45
    2-(2-butoxyethoxy)ethanol 756.25
    sec-butyl acetate 1769.95
    tert-butyl acetate 2851.52
    decalin 1120.71
    glycerin 18.64
    diglyme 2176.49
    acrylic acid 63.27
    isopropyl myristate 1140.61
    n-butyric acid 572.28
    acetyl acetate 856.07
    di(2-ethylhexyl) phthalate 380.54
    ethyl propionate 1609.27
    nitromethane 202.38
    1,2-diethoxyethane 3307.91
    benzonitrile 469.24
    trioctyl phosphate 385.53
    1-bromopropane 2262.2
    gamma-valerolactone 1804.83
    n-decanol 343.41
    triethyl phosphate 1314.1
    4-methyl-2-pentanol 455.14
    propionitrile 275.36
    vinylene carbonate 552.84
    1,1,2-trichlorotrifluoroethane 644.81
    DMS 714.69
    cumene 620.35
    2-octanol 455.6
    2-hexanone 1416.12
    octyl acetate 983.24
    limonene 2667.04
    1,2-dimethoxyethane 1454.84
    ethyl orthosilicate 1549.68
    tributyl phosphate 552.69
    diacetone alcohol 1163.45
    N,N-dimethylaniline 841.46
    acrylonitrile 164.33
    aniline 489.38
    1,3-propanediol 59.65
    bromobenzene 1552.55
    dibromomethane 1806.66
    1,1,2,2-tetrachloroethane 2677.44
    2-methyl-cyclohexyl acetate 2180.78
    tetrabutyl urea 822.36
    diisobutyl methanol 1439.6
    2-phenylethanol 422.4
    styrene 787.71
    dioctyl adipate 1158.96
    dimethyl sulfate 351.07
    ethyl butyrate 4033.72
    methyl lactate 141.79
    butyl lactate 706.85
    diethyl carbonate 1868.18
    propanediol butyl ether 235.85
    triethyl orthoformate 3278.67
    p-tert-butyltoluene 1240.65
    methyl 4-tert-butylbenzoate 1087.85
    morpholine 1588.14
    tert-butylamine 632.7
    n-dodecanol 289.97
    dimethoxymethane 597.7
    ethylene carbonate 694.54
    cyrene 427.63
    2-ethoxyethyl acetate 1516.62
    2-ethylhexyl acetate 3532.08
    1,2,4-trichlorobenzene 1206.38
    4-methylpyridine 1282.43
    dibutyl ether 3488.35
    2,6-dimethyl-4-heptanol 1439.6
    DEF 1574.96
    dimethyl isosorbide 1691.81
    tetrachloroethylene 1512.81
    eugenol 506.42
    triacetin 1242.28
    span 80 609.69
    1,4-butanediol 22.49
    1,1-dichloroethane 1792.97
    2-methyl-1-pentanol 406.65
    methyl formate 64.41
    2-methyl-1-butanol 401.55
    n-decane 599.17
    butyronitrile 529.31
    3,7-dimethyl-1-octanol 826.04
    1-chlorooctane 1311.96
    1-chlorotetradecane 464.61
    n-nonane 698.95
    undecane 345.24
    tert-butylcyclohexane 890.98
    cyclooctane 1686.2
    cyclopentanol 663.55
    tetrahydropyran 4087.86
    tert-amyl methyl ether 1932.83
    2,5,8-trioxanonane 1225.24
    1-hexene 1379.36
    2-isopropoxyethanol 319.24
    2,2,2-trifluoroethanol 32.38
    methyl butyrate 1872.77

    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