Octadecane, 6-methyl-

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  • Identifiers

    CAS number
    10544-96-4

    Molecular formula
    C19H40

    SMILES
    CCCCCCCCCCCCC(C)CCCCC

  • Odor profile

    Waxy 78.62%
    Oily 33.69%
    Fatty 32.84%
    Sweet 23.44%
    Gassy 21.96%
    Odorless 20.71%
    Fishy 18.84%
    Meaty 17.13%
    Burnt 15.26%
    Clean 15.16%

    Scent© AI

  • Properties

    XLogP3-AA
    10.2

    Molecular weight
    268.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    323°C

    Flash point est.
    143.71 ˚C

  • Synonyms

    • 6-Methyloctadecane
    • Octadecane, 6-methyl-
    • 10544-96-4
    • DTXSID90880752
    • 6-methyl octadecane
    • 6-Methyloctadecane #
    • DTXCID701022113
    • NS00095979

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 313.76
    methanol 92.18
    isopropanol 568.3
    water 0.0
    ethyl acetate 3395.11
    n-propanol 561.53
    acetone 1853.04
    n-butanol 969.9
    acetonitrile 339.57
    DMF 787.48
    toluene 2164.2
    isobutanol 672.11
    1,4-dioxane 3576.97
    methyl acetate 1288.25
    THF 8615.3
    2-butanone 2385.25
    n-pentanol 702.58
    sec-butanol 936.27
    n-hexane 3394.42
    ethylene glycol 7.22
    NMP 1705.6
    cyclohexane 9460.55
    DMSO 1073.73
    n-butyl acetate 8007.59
    n-octanol 951.72
    chloroform 3891.65
    n-propyl acetate 3334.08
    acetic acid 199.03
    dichloromethane 3923.47
    cyclohexanone 6240.01
    propylene glycol 35.86
    isopropyl acetate 3695.91
    DMAc 1281.85
    2-ethoxyethanol 585.74
    isopentanol 1498.02
    n-heptane 7750.14
    ethyl formate 682.02
    1,2-dichloroethane 3699.66
    n-hexanol 1672.58
    2-methoxyethanol 572.5
    isobutyl acetate 2752.63
    tetrachloromethane 1627.22
    n-pentyl acetate 3853.16
    transcutol 4288.14
    n-heptanol 998.32
    ethylbenzene 1358.71
    MIBK 3180.75
    2-propoxyethanol 1478.32
    tert-butanol 1616.69
    MTBE 5321.21
    2-butoxyethanol 1186.7
    propionic acid 342.56
    o-xylene 1535.47
    formic acid 8.24
    diethyl ether 5535.24
    m-xylene 1523.7
    p-xylene 1807.9
    chlorobenzene 1787.45
    dimethyl carbonate 323.53
    n-octane 1644.67
    formamide 21.95
    cyclopentanone 4430.45
    2-pentanone 3716.35
    anisole 1718.22
    cyclopentyl methyl ether 6797.32
    gamma-butyrolactone 2784.31
    1-methoxy-2-propanol 840.68
    pyridine 2506.11
    3-pentanone 2896.67
    furfural 1350.37
    n-dodecane 494.16
    diethylene glycol 237.54
    diisopropyl ether 3672.94
    tert-amyl alcohol 1755.17
    acetylacetone 2622.35
    n-hexadecane 618.64
    acetophenone 1473.88
    methyl propionate 1577.51
    isopentyl acetate 7555.0
    trichloroethylene 4057.82
    n-nonanol 1053.09
    cyclohexanol 2387.42
    benzyl alcohol 531.75
    2-ethylhexanol 3055.61
    isooctanol 1302.87
    dipropyl ether 12985.18
    1,2-dichlorobenzene 1839.8
    ethyl lactate 506.9
    propylene carbonate 1839.02
    n-methylformamide 170.13
    2-pentanol 1322.55
    n-pentane 2246.09
    1-propoxy-2-propanol 2744.99
    1-methoxy-2-propyl acetate 3840.79
    2-(2-methoxypropoxy) propanol 1108.22
    mesitylene 1424.05
    ε-caprolactone 4179.2
    p-cymene 2104.42
    epichlorohydrin 3584.74
    1,1,1-trichloroethane 5265.26
    2-aminoethanol 43.03
    morpholine-4-carbaldehyde 1547.89
    sulfolane 3325.32
    2,2,4-trimethylpentane 1079.19
    2-methyltetrahydrofuran 8000.09
    n-hexyl acetate 3444.77
    isooctane 967.77
    2-(2-butoxyethoxy)ethanol 1504.54
    sec-butyl acetate 3386.3
    tert-butyl acetate 5175.64
    decalin 2052.41
    glycerin 47.22
    diglyme 3949.17
    acrylic acid 138.34
    isopropyl myristate 1958.67
    n-butyric acid 1425.34
    acetyl acetate 1582.75
    di(2-ethylhexyl) phthalate 647.31
    ethyl propionate 3034.46
    nitromethane 472.21
    1,2-diethoxyethane 6868.94
    benzonitrile 940.26
    trioctyl phosphate 698.54
    1-bromopropane 5023.13
    gamma-valerolactone 3422.17
    n-decanol 762.44
    triethyl phosphate 2022.54
    4-methyl-2-pentanol 1145.89
    propionitrile 739.14
    vinylene carbonate 969.15
    1,1,2-trichlorotrifluoroethane 1142.96
    DMS 1171.11
    cumene 1058.72
    2-octanol 1034.61
    2-hexanone 3204.03
    octyl acetate 1740.53
    limonene 4874.18
    1,2-dimethoxyethane 3284.86
    ethyl orthosilicate 2437.87
    tributyl phosphate 973.33
    diacetone alcohol 2255.55
    N,N-dimethylaniline 1368.91
    acrylonitrile 416.08
    aniline 1063.53
    1,3-propanediol 176.55
    bromobenzene 2629.8
    dibromomethane 3628.12
    1,1,2,2-tetrachloroethane 4522.0
    2-methyl-cyclohexyl acetate 3643.57
    tetrabutyl urea 1395.41
    diisobutyl methanol 2982.42
    2-phenylethanol 889.48
    styrene 1465.14
    dioctyl adipate 1872.41
    dimethyl sulfate 533.82
    ethyl butyrate 7613.88
    methyl lactate 271.75
    butyl lactate 1282.82
    diethyl carbonate 3286.34
    propanediol butyl ether 512.59
    triethyl orthoformate 5582.8
    p-tert-butyltoluene 2130.45
    methyl 4-tert-butylbenzoate 1640.69
    morpholine 3843.2
    tert-butylamine 1866.2
    n-dodecanol 626.87
    dimethoxymethane 1306.91
    ethylene carbonate 1272.04
    cyrene 660.06
    2-ethoxyethyl acetate 2693.62
    2-ethylhexyl acetate 7050.57
    1,2,4-trichlorobenzene 1880.85
    4-methylpyridine 2683.0
    dibutyl ether 7566.53
    2,6-dimethyl-4-heptanol 2982.42
    DEF 3121.2
    dimethyl isosorbide 2490.88
    tetrachloroethylene 2516.72
    eugenol 827.76
    triacetin 1984.44
    span 80 1113.16
    1,4-butanediol 62.8
    1,1-dichloroethane 3629.56
    2-methyl-1-pentanol 1090.24
    methyl formate 144.66
    2-methyl-1-butanol 1168.53
    n-decane 1245.21
    butyronitrile 1487.07
    3,7-dimethyl-1-octanol 1795.65
    1-chlorooctane 2602.98
    1-chlorotetradecane 870.46
    n-nonane 1475.5
    undecane 718.18
    tert-butylcyclohexane 1654.35
    cyclooctane 3259.78
    cyclopentanol 1600.36
    tetrahydropyran 9876.67
    tert-amyl methyl ether 4059.91
    2,5,8-trioxanonane 2042.39
    1-hexene 3915.34
    2-isopropoxyethanol 767.49
    2,2,2-trifluoroethanol 59.67
    methyl butyrate 3642.55

    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

Botanical

Name CAS Botanical Proportion
Jasmine (China) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.13%