2,4,6-Trimethyloctane

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  • Identifiers

    CAS number
    62016-37-9

    Molecular formula
    C11H24

    SMILES
    CCC(C)CC(C)CC(C)C

  • Odor profile

    Herbal 47.41%
    Fresh 41.51%
    Citrus 38.79%
    Green 37.81%
    Woody 35.85%
    Oily 31.02%
    Spicy 30.39%
    Waxy 29.46%
    Sweet 28.19%
    Mint 27.43%

    Scent© AI

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    10.22 (weak base)

    Molecular weight
    156.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    169°C

    Flash point est.
    58.35 ˚C

  • Synonyms

    • 2,4,6-Trimethyloctane
    • 62016-37-9
    • Octane, 2,4,6-trimethyl-
    • 2,4,6-trimethyl-octane
    • 2,4,6-TRIMETHYL OCTANE
    • 2,4,6-Trimethyloctane #
    • DTXSID30337937
    • CHEBI:183304
    • LMFA11000678
    • NS00095995

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2901.72
    methanol 1294.22
    isopropanol 3231.08
    water 0.06
    ethyl acetate 3770.28
    n-propanol 3042.21
    acetone 3572.35
    n-butanol 4837.41
    acetonitrile 1646.06
    DMF 1479.76
    toluene 2946.17
    isobutanol 3083.52
    1,4-dioxane 6246.39
    methyl acetate 2246.01
    THF 12458.86
    2-butanone 3701.79
    n-pentanol 3076.25
    sec-butanol 3673.31
    n-hexane 11719.5
    ethylene glycol 102.91
    NMP 1904.55
    cyclohexane 12200.97
    DMSO 1402.2
    n-butyl acetate 10873.25
    n-octanol 3076.56
    chloroform 5031.39
    n-propyl acetate 3082.29
    acetic acid 960.39
    dichloromethane 3787.58
    cyclohexanone 6705.39
    propylene glycol 298.86
    isopropyl acetate 3361.92
    DMAc 1355.24
    2-ethoxyethanol 1468.99
    isopentanol 5030.36
    n-heptane 16565.99
    ethyl formate 1492.51
    1,2-dichloroethane 3277.95
    n-hexanol 10650.4
    2-methoxyethanol 2009.28
    isobutyl acetate 2391.3
    tetrachloromethane 1897.55
    n-pentyl acetate 3447.88
    transcutol 4939.03
    n-heptanol 3454.03
    ethylbenzene 1643.92
    MIBK 3222.84
    2-propoxyethanol 5319.84
    tert-butanol 5534.92
    MTBE 9748.2
    2-butoxyethanol 2628.36
    propionic acid 1100.24
    o-xylene 1698.27
    formic acid 85.06
    diethyl ether 9620.47
    m-xylene 2105.16
    p-xylene 2150.31
    chlorobenzene 2185.41
    dimethyl carbonate 353.49
    n-octane 3178.43
    formamide 121.45
    cyclopentanone 4739.73
    2-pentanone 4626.68
    anisole 1650.43
    cyclopentyl methyl ether 7725.14
    gamma-butyrolactone 3132.53
    1-methoxy-2-propanol 1952.68
    pyridine 3200.85
    3-pentanone 3166.22
    furfural 1656.91
    n-dodecane 1210.38
    diethylene glycol 1061.03
    diisopropyl ether 5074.9
    tert-amyl alcohol 5023.94
    acetylacetone 2258.11
    n-hexadecane 1429.1
    acetophenone 1015.96
    methyl propionate 1787.65
    isopentyl acetate 8903.79
    trichloroethylene 3364.9
    n-nonanol 2773.98
    cyclohexanol 5339.5
    benzyl alcohol 813.72
    2-ethylhexanol 9946.07
    isooctanol 2992.52
    dipropyl ether 15717.99
    1,2-dichlorobenzene 1533.93
    ethyl lactate 533.64
    propylene carbonate 2004.45
    n-methylformamide 589.03
    2-pentanol 4268.37
    n-pentane 7120.93
    1-propoxy-2-propanol 6398.58
    1-methoxy-2-propyl acetate 3953.02
    2-(2-methoxypropoxy) propanol 1414.59
    mesitylene 1699.93
    ε-caprolactone 4558.95
    p-cymene 2530.74
    epichlorohydrin 3700.95
    1,1,1-trichloroethane 4385.58
    2-aminoethanol 404.46
    morpholine-4-carbaldehyde 1922.24
    sulfolane 2572.66
    2,2,4-trimethylpentane 2558.21
    2-methyltetrahydrofuran 11823.16
    n-hexyl acetate 4340.97
    isooctane 2437.98
    2-(2-butoxyethoxy)ethanol 2314.57
    sec-butyl acetate 2500.28
    tert-butyl acetate 4093.96
    decalin 3107.05
    glycerin 270.21
    diglyme 4133.15
    acrylic acid 508.41
    isopropyl myristate 1982.44
    n-butyric acid 3240.03
    acetyl acetate 1436.7
    di(2-ethylhexyl) phthalate 842.83
    ethyl propionate 2237.56
    nitromethane 1027.04
    1,2-diethoxyethane 5774.42
    benzonitrile 1534.55
    trioctyl phosphate 1017.21
    1-bromopropane 6271.13
    gamma-valerolactone 3909.78
    n-decanol 2055.48
    triethyl phosphate 1410.2
    4-methyl-2-pentanol 2918.96
    propionitrile 2382.26
    vinylene carbonate 1183.18
    1,1,2-trichlorotrifluoroethane 1396.39
    DMS 960.6
    cumene 1246.24
    2-octanol 2508.45
    2-hexanone 4189.37
    octyl acetate 2113.3
    limonene 6422.84
    1,2-dimethoxyethane 4599.72
    ethyl orthosilicate 1873.79
    tributyl phosphate 1198.82
    diacetone alcohol 2467.51
    N,N-dimethylaniline 1150.54
    acrylonitrile 1337.47
    aniline 1679.32
    1,3-propanediol 995.15
    bromobenzene 2551.72
    dibromomethane 4280.59
    1,1,2,2-tetrachloroethane 3481.49
    2-methyl-cyclohexyl acetate 3384.14
    tetrabutyl urea 1425.7
    diisobutyl methanol 4931.64
    2-phenylethanol 2058.99
    styrene 1703.52
    dioctyl adipate 1631.1
    dimethyl sulfate 384.33
    ethyl butyrate 5978.74
    methyl lactate 412.15
    butyl lactate 1510.83
    diethyl carbonate 2359.13
    propanediol butyl ether 1316.67
    triethyl orthoformate 4563.63
    p-tert-butyltoluene 2682.92
    methyl 4-tert-butylbenzoate 1221.82
    morpholine 6846.63
    tert-butylamine 6378.45
    n-dodecanol 1623.63
    dimethoxymethane 1952.09
    ethylene carbonate 1469.64
    cyrene 726.07
    2-ethoxyethyl acetate 2206.91
    2-ethylhexyl acetate 8027.58
    1,2,4-trichlorobenzene 1519.47
    4-methylpyridine 3684.53
    dibutyl ether 8517.69
    2,6-dimethyl-4-heptanol 4931.64
    DEF 3142.89
    dimethyl isosorbide 2354.01
    tetrachloroethylene 2246.71
    eugenol 858.41
    triacetin 1428.63
    span 80 1771.31
    1,4-butanediol 337.41
    1,1-dichloroethane 3975.26
    2-methyl-1-pentanol 3183.95
    methyl formate 437.68
    2-methyl-1-butanol 4143.67
    n-decane 2649.34
    butyronitrile 4770.83
    3,7-dimethyl-1-octanol 3731.95
    1-chlorooctane 3879.93
    1-chlorotetradecane 1441.97
    n-nonane 3339.53
    undecane 1694.41
    tert-butylcyclohexane 3085.18
    cyclooctane 4847.48
    cyclopentanol 3727.94
    tetrahydropyran 13911.88
    tert-amyl methyl ether 6394.1
    2,5,8-trioxanonane 2042.19
    1-hexene 11718.84
    2-isopropoxyethanol 1504.28
    2,2,2-trifluoroethanol 169.5
    methyl butyrate 3154.73

    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 0.05%