3,3,4-Trimethyldecane

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  • Identifiers

    CAS number
    49622-18-6

    Molecular formula
    C13H28

    SMILES
    CCCCCCC(C)C(C)(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 48.06%
    Sweet 33.76%
    Oily 32.87%
    Fresh 31.76%
    Woody 31.32%
    Herbal 29.94%
    Citrus 27.05%
    Gassy 26.75%
    Pine 22.27%
    Green 21.96%

     

    Flavor
    Alkane 51.39%
    Gasoline 28.49%
    Waxy 22.61%
    Delicate 21.59%
    Leathery 20.82%
    Rotten 20.69%
    Woody 20.36%
    Skunky 20.23%
    Bloody 20.07%
    Yeasty 20.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    9.89 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    217°C

    Flash point

    • 79.17 ˚C est.

  • Synonyms

    • 3,3,4-TRIMETHYLDECANE
    • 49622-18-6
    • Decane, 3,3,4-trimethyl-
    • DTXSID90964304
    • RefChem:90746
    • DTXCID401392006
    • AVICXEDVKYYQCS-UHFFFAOYSA-N
    • 3,3,4-Trimethyl-Decane
    • SCHEMBL28270250
    • SCHEMBL29209888
    • 49622-18-6

  • Applications

    3,3,4-Trimethyldecane (CAS 49622-18-6), a branched high-carbon alkane, is typically used as a nonpolar solvent and diluent in a range of industrial formulations. Common applications include as a solvent for adhesives and plastics processing, as a diluent in paints and coatings, as a carrier solvent in industrial cleaning formulations, and as a base component in lubricant formulations. It may also serve as a GC reference material or analytical calibrant for hydrocarbon mixtures. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1455.48
    methanol 442.16
    isopropanol 1839.62
    water 0.02
    ethyl acetate 4961.12
    n-propanol 1906.2
    acetone 2366.48
    n-butanol 2780.12
    acetonitrile 1172.17
    DMF 1200.63
    toluene 3726.74
    isobutanol 1844.05
    1,4-dioxane 6389.53
    methyl acetate 2395.83
    THF 10061.74
    2-butanone 3658.23
    n-pentanol 1841.34
    sec-butanol 2435.17
    n-hexane 6729.0
    ethylene glycol 33.83
    NMP 1287.19
    cyclohexane 8365.67
    DMSO 909.46
    n-butyl acetate 12680.14
    n-octanol 2045.95
    chloroform 4552.15
    n-propyl acetate 3490.74
    acetic acid 377.02
    dichloromethane 3936.08
    cyclohexanone 5676.27
    propylene glycol 129.57
    isopropyl acetate 4681.61
    DMAc 1460.76
    2-ethoxyethanol 1315.4
    isopentanol 3236.79
    n-heptane 9354.79
    ethyl formate 1165.1
    1,2-dichloroethane 3607.82
    n-hexanol 5860.8
    2-methoxyethanol 1367.54
    isobutyl acetate 2969.16
    tetrachloromethane 1671.16
    n-pentyl acetate 3738.43
    transcutol 7442.63
    n-heptanol 2200.4
    ethylbenzene 2259.7
    MIBK 3727.9
    2-propoxyethanol 3930.22
    tert-butanol 4004.49
    MTBE 12142.26
    2-butoxyethanol 2078.89
    propionic acid 671.69
    o-xylene 2229.1
    formic acid 27.66
    diethyl ether 10618.94
    m-xylene 2581.3
    p-xylene 2647.29
    chlorobenzene 2301.38
    dimethyl carbonate 433.51
    n-octane 2250.11
    formamide 66.95
    cyclopentanone 3604.81
    2-pentanone 4374.09
    anisole 2567.77
    cyclopentyl methyl ether 7201.61
    gamma-butyrolactone 2423.6
    1-methoxy-2-propanol 1773.96
    pyridine 3732.56
    3-pentanone 3531.47
    furfural 1337.3
    n-dodecane 894.81
    diethylene glycol 685.29
    diisopropyl ether 6114.25
    tert-amyl alcohol 4134.05
    acetylacetone 2779.21
    n-hexadecane 1064.41
    acetophenone 1425.51
    methyl propionate 2278.46
    isopentyl acetate 10704.57
    trichloroethylene 3966.67
    n-nonanol 2084.52
    cyclohexanol 3345.47
    benzyl alcohol 869.43
    2-ethylhexanol 7388.93
    isooctanol 2305.14
    dipropyl ether 16319.55
    1,2-dichlorobenzene 1922.52
    ethyl lactate 557.06
    propylene carbonate 1581.52
    n-methylformamide 374.96
    2-pentanol 2941.11
    n-pentane 4261.39
    1-propoxy-2-propanol 5318.38
    1-methoxy-2-propyl acetate 5479.21
    2-(2-methoxypropoxy) propanol 1813.86
    mesitylene 2217.81
    ε-caprolactone 4340.13
    p-cymene 3004.72
    epichlorohydrin 3723.65
    1,1,1-trichloroethane 4897.49
    2-aminoethanol 172.83
    morpholine-4-carbaldehyde 1962.49
    sulfolane 1878.32
    2,2,4-trimethylpentane 2070.33
    2-methyltetrahydrofuran 9947.69
    n-hexyl acetate 4545.11
    isooctane 2076.74
    2-(2-butoxyethoxy)ethanol 2742.65
    sec-butyl acetate 3699.65
    tert-butyl acetate 6198.53
    decalin 2814.67
    glycerin 129.28
    diglyme 4955.58
    acrylic acid 263.64
    isopropyl myristate 2344.84
    n-butyric acid 2315.88
    acetyl acetate 1876.42
    di(2-ethylhexyl) phthalate 904.3
    ethyl propionate 3430.01
    nitromethane 675.61
    1,2-diethoxyethane 9984.93
    benzonitrile 1453.24
    trioctyl phosphate 950.87
    1-bromopropane 6142.38
    gamma-valerolactone 3556.71
    n-decanol 1621.45
    triethyl phosphate 1819.08
    4-methyl-2-pentanol 2567.34
    propionitrile 2169.93
    vinylene carbonate 1116.41
    1,1,2-trichlorotrifluoroethane 1059.04
    DMS 1465.98
    cumene 1678.91
    2-octanol 1805.01
    2-hexanone 4078.75
    octyl acetate 2276.16
    limonene 6305.16
    1,2-dimethoxyethane 4876.25
    ethyl orthosilicate 2392.39
    tributyl phosphate 1258.43
    diacetone alcohol 2690.77
    N,N-dimethylaniline 1835.78
    acrylonitrile 1207.76
    aniline 1867.85
    1,3-propanediol 572.69
    bromobenzene 3069.84
    dibromomethane 3865.73
    1,1,2,2-tetrachloroethane 3851.66
    2-methyl-cyclohexyl acetate 4216.34
    tetrabutyl urea 1409.7
    diisobutyl methanol 4277.44
    2-phenylethanol 2159.85
    styrene 2466.65
    dioctyl adipate 1979.74
    dimethyl sulfate 436.47
    ethyl butyrate 8275.64
    methyl lactate 381.35
    butyl lactate 1475.99
    diethyl carbonate 3472.21
    propanediol butyl ether 954.28
    triethyl orthoformate 5687.83
    p-tert-butyltoluene 3132.39
    methyl 4-tert-butylbenzoate 1705.18
    morpholine 6430.8
    tert-butylamine 5028.39
    n-dodecanol 1321.76
    dimethoxymethane 2068.27
    ethylene carbonate 1364.22
    cyrene 770.86
    2-ethoxyethyl acetate 3243.27
    2-ethylhexyl acetate 9916.52
    1,2,4-trichlorobenzene 1891.69
    4-methylpyridine 4192.21
    dibutyl ether 9390.08
    2,6-dimethyl-4-heptanol 4277.44
    DEF 3558.21
    dimethyl isosorbide 3120.9
    tetrachloroethylene 2334.83
    eugenol 1064.66
    triacetin 1837.58
    span 80 1802.11
    1,4-butanediol 172.86
    1,1-dichloroethane 4197.3
    2-methyl-1-pentanol 2444.67
    methyl formate 258.38
    2-methyl-1-butanol 2796.75
    n-decane 1901.3
    butyronitrile 3686.04
    3,7-dimethyl-1-octanol 3477.02
    1-chlorooctane 3476.79
    1-chlorotetradecane 1340.59
    n-nonane 2240.2
    undecane 1238.15
    tert-butylcyclohexane 2754.9
    cyclooctane 3724.3
    cyclopentanol 1993.55
    tetrahydropyran 12701.15
    tert-amyl methyl ether 7264.22
    2,5,8-trioxanonane 2635.76
    1-hexene 8885.85
    2-isopropoxyethanol 1483.24
    2,2,2-trifluoroethanol 80.66
    methyl butyrate 3947.18

    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