2,2-Dimethylhexadecane

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  • Identifiers

    CAS number
    80264-51-3

    Molecular formula
    C18H38

    SMILES
    CCCCCCCCCCCCCCC(C)(C)C

  • Odor profile

    Waxy 79.49%
    Fatty 34.58%
    Oily 33.73%
    Odorless 21.37%
    Sweet 20.66%
    Fishy 17.42%
    Balsamic 16.12%
    Gassy 15.52%
    Clean 15.39%
    Burnt 14.4%

    Scent© AI

  • Properties

    XLogP3-AA
    9.5

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point est.
    134.84 ˚C

  • Synonyms

    • trimethylpentadecane
    • 2,2-dimethylhexadecane

  • Applications

    2,2-Dimethylhexadecane is an inert, highly hydrophobic C18 isoparaffin with a high boiling point and low pour point; it is often employed as an analytical reference in GC/GC-MS (compound identification, establishing retention indices for branched hydrocarbons, and retention-time calibration), as a reference fluid for viscosity, density, interfacial-tension and contact-angle measurements and instrument calibration, as a model compound in fuel and combustion studies (branching effects on cetane number, sooting tendency, and oxidation kinetics) and in molecular thermodynamics/simulation, as a low-odor inert carrier or solvent in research and niche formulations that benefit from the reproducibility of a single isomer (lubricants, coatings, adhesives, sealants, nanoparticle dispersions, additive delivery), and as a representative hydrocarbon in sorption, biodegradation, and oil-water interfacial behavior tests, including evaluation of pour-point depressants and viscosity-index improvers for isoparaffinic base oils.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.19
    methanol 50.3
    isopropanol 271.1
    water 0.0
    ethyl acetate 1512.34
    n-propanol 301.03
    acetone 662.4
    n-butanol 517.73
    acetonitrile 126.28
    DMF 388.43
    toluene 1394.26
    isobutanol 388.05
    1,4-dioxane 1568.89
    methyl acetate 585.07
    THF 3855.43
    2-butanone 1042.44
    n-pentanol 414.45
    sec-butanol 501.68
    n-hexane 2826.15
    ethylene glycol 5.69
    NMP 871.97
    cyclohexane 5330.21
    DMSO 393.87
    n-butyl acetate 3830.14
    n-octanol 735.23
    chloroform 1847.1
    n-propyl acetate 1482.29
    acetic acid 98.19
    dichloromethane 1457.01
    cyclohexanone 2666.87
    propylene glycol 28.32
    isopropyl acetate 1897.88
    DMAc 766.62
    2-ethoxyethanol 322.95
    isopentanol 785.41
    n-heptane 5788.52
    ethyl formate 274.44
    1,2-dichloroethane 1306.45
    n-hexanol 1144.28
    2-methoxyethanol 281.71
    isobutyl acetate 1664.56
    tetrachloromethane 742.21
    n-pentyl acetate 1832.1
    transcutol 2413.97
    n-heptanol 703.36
    ethylbenzene 989.08
    MIBK 1656.63
    2-propoxyethanol 936.37
    tert-butanol 814.49
    MTBE 2759.45
    2-butoxyethanol 766.58
    propionic acid 190.19
    o-xylene 1084.92
    formic acid 5.64
    diethyl ether 2543.65
    m-xylene 1098.19
    p-xylene 1326.87
    chlorobenzene 916.53
    dimethyl carbonate 206.68
    n-octane 1332.29
    formamide 11.13
    cyclopentanone 1870.53
    2-pentanone 1611.01
    anisole 969.48
    cyclopentyl methyl ether 3663.89
    gamma-butyrolactone 1205.86
    1-methoxy-2-propanol 471.44
    pyridine 1020.06
    3-pentanone 1487.33
    furfural 610.93
    n-dodecane 472.33
    diethylene glycol 162.41
    diisopropyl ether 2331.91
    tert-amyl alcohol 1011.33
    acetylacetone 1276.23
    n-hexadecane 584.35
    acetophenone 841.12
    methyl propionate 795.7
    isopentyl acetate 3866.8
    trichloroethylene 1681.39
    n-nonanol 801.93
    cyclohexanol 1333.44
    benzyl alcohol 307.55
    2-ethylhexanol 2189.62
    isooctanol 894.75
    dipropyl ether 6854.26
    1,2-dichlorobenzene 934.03
    ethyl lactate 327.5
    propylene carbonate 905.78
    n-methylformamide 77.42
    2-pentanol 760.03
    n-pentane 1584.71
    1-propoxy-2-propanol 1755.84
    1-methoxy-2-propyl acetate 2314.1
    2-(2-methoxypropoxy) propanol 885.7
    mesitylene 1089.27
    ε-caprolactone 1970.82
    p-cymene 1466.52
    epichlorohydrin 1430.58
    1,1,1-trichloroethane 2245.37
    2-aminoethanol 29.95
    morpholine-4-carbaldehyde 803.19
    sulfolane 1532.01
    2,2,4-trimethylpentane 947.64
    2-methyltetrahydrofuran 3636.34
    n-hexyl acetate 2100.38
    isooctane 857.21
    2-(2-butoxyethoxy)ethanol 1102.79
    sec-butyl acetate 1887.18
    tert-butyl acetate 2898.52
    decalin 1784.02
    glycerin 35.91
    diglyme 2366.1
    acrylic acid 86.6
    isopropyl myristate 1481.31
    n-butyric acid 646.66
    acetyl acetate 804.66
    di(2-ethylhexyl) phthalate 491.38
    ethyl propionate 1511.98
    nitromethane 184.25
    1,2-diethoxyethane 3179.6
    benzonitrile 449.75
    trioctyl phosphate 537.37
    1-bromopropane 2166.88
    gamma-valerolactone 1478.52
    n-decanol 618.27
    triethyl phosphate 1301.37
    4-methyl-2-pentanol 744.48
    propionitrile 328.43
    vinylene carbonate 491.73
    1,1,2-trichlorotrifluoroethane 577.73
    DMS 765.03
    cumene 851.25
    2-octanol 692.09
    2-hexanone 1577.84
    octyl acetate 1234.28
    limonene 3069.81
    1,2-dimethoxyethane 1470.06
    ethyl orthosilicate 1593.64
    tributyl phosphate 720.54
    diacetone alcohol 1266.04
    N,N-dimethylaniline 887.72
    acrylonitrile 181.53
    aniline 553.98
    1,3-propanediol 96.39
    bromobenzene 1300.48
    dibromomethane 1499.76
    1,1,2,2-tetrachloroethane 2075.84
    2-methyl-cyclohexyl acetate 2378.24
    tetrabutyl urea 939.92
    diisobutyl methanol 2003.84
    2-phenylethanol 611.55
    styrene 907.57
    dioctyl adipate 1356.33
    dimethyl sulfate 317.46
    ethyl butyrate 3625.37
    methyl lactate 187.23
    butyl lactate 785.63
    diethyl carbonate 1733.41
    propanediol butyl ether 383.38
    triethyl orthoformate 3210.25
    p-tert-butyltoluene 1553.11
    methyl 4-tert-butylbenzoate 1091.73
    morpholine 1659.26
    tert-butylamine 983.1
    n-dodecanol 529.3
    dimethoxymethane 664.2
    ethylene carbonate 634.24
    cyrene 496.21
    2-ethoxyethyl acetate 1407.69
    2-ethylhexyl acetate 3793.64
    1,2,4-trichlorobenzene 1005.67
    4-methylpyridine 1132.13
    dibutyl ether 4243.81
    2,6-dimethyl-4-heptanol 2003.84
    DEF 1379.71
    dimethyl isosorbide 1760.19
    tetrachloroethylene 1171.14
    eugenol 573.42
    triacetin 1320.93
    span 80 853.65
    1,4-butanediol 43.65
    1,1-dichloroethane 1432.67
    2-methyl-1-pentanol 665.21
    methyl formate 68.02
    2-methyl-1-butanol 674.05
    n-decane 1042.57
    butyronitrile 607.15
    3,7-dimethyl-1-octanol 1283.79
    1-chlorooctane 1796.93
    1-chlorotetradecane 736.82
    n-nonane 1245.55
    undecane 654.63
    tert-butylcyclohexane 1597.17
    cyclooctane 2431.38
    cyclopentanol 831.1
    tetrahydropyran 4205.17
    tert-amyl methyl ether 2546.36
    2,5,8-trioxanonane 1353.63
    1-hexene 2615.64
    2-isopropoxyethanol 491.92
    2,2,2-trifluoroethanol 32.34
    methyl butyrate 1689.64

    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
Germander, common (Italy) Teucrium chamaedrys L., fam. Lamiaceae (Labiatae) 1.7%
Dendranthema vestitum flower absolute (China) Dendranthema vestitum (Hemsl.) Ling ex Shih, fam. Asteraceae (Compositae) 0.46%