4-Ethyl-2,2,6,6-tetramethylheptane

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  • Identifiers

    CAS number
    62108-31-0

    Molecular formula
    C13H28

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 56.81%
    Green 35.03%
    Fatty 32.07%
    Dry 31.6%
    Herbal 31.59%
    Waxy 31.04%
    Camphoreous 29.07%
    Oily 27.63%
    Fresh 27.04%
    Vetiver 26.96%

     

    Flavor
    Mild 23.72%
    Alkane 20.77%
    Pungent 20.7%
    Delicate 20.09%
    Yeasty 20.04%
    Leathery 19.89%
    Green 19.85%
    Woody 19.7%
    Blackberry 19.46%
    Terpenic 19.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    9.48 (weak base)

    Molecular weight
    184.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 66.83 ˚C est.

  • Synonyms

    • 4-ETHYL-2,2,6,6-TETRAMETHYLHEPTANE
    • 62108-31-0
    • DTXSID90211168
    • RefChem:522739
    • DTXCID90133659
    • 2,2,6,6-Tetramethyl-4-ethylheptane
    • Heptane, 4-ethyl-2,2,6,6-tetramethyl-
    • SCHEMBL4578588
    • SCHEMBL4655335
    • SCHEMBL4655337
    • LMFA11000672
    • 4-Ethyl-2,2,6,6-tetramethylheptane #
    • DB-367767
    • NS00095968
    • 4-ETHYL-2,2,6,6-TETRAMETHYL HEPTANE
    • 62108-31-0

  • Applications

    4-Ethyl-2,2,6,6-tetramethylheptane (CAS 62108-31-0) is a highly branched, nonpolar hydrocarbon typically used as a solvent or diluent in coatings, inks, and adhesives; it can serve as a base oil component in lubricants and hydraulic fluids; it is employed as a cleaning and degreasing solvent in industrial maintenance; it may function as a processing solvent or diluent in polymer and plastics manufacturing; it can be used as an intermediate or processing aid in chemical manufacture.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.78
    methanol 34.09
    isopropanol 69.15
    water 0.04
    ethyl acetate 169.35
    n-propanol 78.27
    acetone 117.07
    n-butanol 107.46
    acetonitrile 46.77
    DMF 125.43
    toluene 272.3
    isobutanol 93.24
    1,4-dioxane 260.53
    methyl acetate 123.49
    THF 634.99
    2-butanone 166.41
    n-pentanol 95.61
    sec-butanol 114.29
    n-hexane 425.69
    ethylene glycol 7.58
    NMP 348.99
    cyclohexane 531.38
    DMSO 86.27
    n-butyl acetate 483.79
    n-octanol 261.7
    chloroform 355.14
    n-propyl acetate 177.92
    acetic acid 47.65
    dichloromethane 226.03
    cyclohexanone 452.15
    propylene glycol 24.65
    isopropyl acetate 197.37
    DMAc 212.13
    2-ethoxyethanol 62.79
    isopentanol 138.32
    n-heptane 903.84
    ethyl formate 69.02
    1,2-dichloroethane 164.63
    n-hexanol 394.62
    2-methoxyethanol 80.36
    isobutyl acetate 225.05
    tetrachloromethane 123.23
    n-pentyl acetate 253.86
    transcutol 301.04
    n-heptanol 227.74
    ethylbenzene 232.08
    MIBK 217.49
    2-propoxyethanol 263.97
    tert-butanol 159.79
    MTBE 360.82
    2-butoxyethanol 175.53
    propionic acid 66.0
    o-xylene 262.49
    formic acid 6.18
    diethyl ether 220.32
    m-xylene 285.75
    p-xylene 325.62
    chlorobenzene 223.38
    dimethyl carbonate 64.31
    n-octane 260.17
    formamide 8.01
    cyclopentanone 415.48
    2-pentanone 195.72
    anisole 225.92
    cyclopentyl methyl ether 564.95
    gamma-butyrolactone 315.95
    1-methoxy-2-propanol 113.94
    pyridine 200.88
    3-pentanone 197.9
    furfural 209.05
    n-dodecane 175.2
    diethylene glycol 83.13
    diisopropyl ether 249.36
    tert-amyl alcohol 225.1
    acetylacetone 193.86
    n-hexadecane 196.38
    acetophenone 200.32
    methyl propionate 144.12
    isopentyl acetate 547.6
    trichloroethylene 269.68
    n-nonanol 265.17
    cyclohexanol 271.33
    benzyl alcohol 91.56
    2-ethylhexanol 554.12
    isooctanol 229.25
    dipropyl ether 710.88
    1,2-dichlorobenzene 236.19
    ethyl lactate 94.83
    propylene carbonate 265.98
    n-methylformamide 36.61
    2-pentanol 126.79
    n-pentane 239.65
    1-propoxy-2-propanol 386.26
    1-methoxy-2-propyl acetate 400.37
    2-(2-methoxypropoxy) propanol 287.21
    mesitylene 285.21
    ε-caprolactone 382.11
    p-cymene 406.98
    epichlorohydrin 266.5
    1,1,1-trichloroethane 294.54
    2-aminoethanol 21.88
    morpholine-4-carbaldehyde 245.97
    sulfolane 413.34
    2,2,4-trimethylpentane 226.12
    2-methyltetrahydrofuran 592.17
    n-hexyl acetate 439.43
    isooctane 211.07
    2-(2-butoxyethoxy)ethanol 247.23
    sec-butyl acetate 207.91
    tert-butyl acetate 343.88
    decalin 354.96
    glycerin 28.18
    diglyme 381.29
    acrylic acid 44.41
    isopropyl myristate 341.42
    n-butyric acid 128.77
    acetyl acetate 131.9
    di(2-ethylhexyl) phthalate 222.52
    ethyl propionate 197.74
    nitromethane 62.67
    1,2-diethoxyethane 266.44
    benzonitrile 148.02
    trioctyl phosphate 212.58
    1-bromopropane 254.25
    gamma-valerolactone 373.98
    n-decanol 227.39
    triethyl phosphate 274.51
    4-methyl-2-pentanol 143.89
    propionitrile 83.18
    vinylene carbonate 168.53
    1,1,2-trichlorotrifluoroethane 151.63
    DMS 202.94
    cumene 232.31
    2-octanol 203.29
    2-hexanone 221.41
    octyl acetate 345.61
    limonene 680.74
    1,2-dimethoxyethane 205.74
    ethyl orthosilicate 289.32
    tributyl phosphate 231.94
    diacetone alcohol 227.0
    N,N-dimethylaniline 240.54
    acrylonitrile 62.61
    aniline 134.95
    1,3-propanediol 37.82
    bromobenzene 298.21
    dibromomethane 232.57
    1,1,2,2-tetrachloroethane 320.83
    2-methyl-cyclohexyl acetate 584.82
    tetrabutyl urea 300.06
    diisobutyl methanol 416.0
    2-phenylethanol 222.23
    styrene 207.09
    dioctyl adipate 339.21
    dimethyl sulfate 94.12
    ethyl butyrate 411.15
    methyl lactate 72.11
    butyl lactate 191.94
    diethyl carbonate 256.0
    propanediol butyl ether 146.19
    triethyl orthoformate 421.05
    p-tert-butyltoluene 458.6
    methyl 4-tert-butylbenzoate 348.82
    morpholine 262.18
    tert-butylamine 181.03
    n-dodecanol 205.41
    dimethoxymethane 143.11
    ethylene carbonate 167.44
    cyrene 216.44
    2-ethoxyethyl acetate 198.52
    2-ethylhexyl acetate 561.13
    1,2,4-trichlorobenzene 287.9
    4-methylpyridine 262.07
    dibutyl ether 507.91
    2,6-dimethyl-4-heptanol 416.0
    DEF 212.07
    dimethyl isosorbide 598.58
    tetrachloroethylene 187.4
    eugenol 209.29
    triacetin 294.04
    span 80 341.61
    1,4-butanediol 21.3
    1,1-dichloroethane 188.84
    2-methyl-1-pentanol 136.0
    methyl formate 36.18
    2-methyl-1-butanol 136.8
    n-decane 269.39
    butyronitrile 122.01
    3,7-dimethyl-1-octanol 358.25
    1-chlorooctane 386.2
    1-chlorotetradecane 226.74
    n-nonane 302.57
    undecane 209.12
    tert-butylcyclohexane 400.86
    cyclooctane 384.41
    cyclopentanol 212.97
    tetrahydropyran 492.61
    tert-amyl methyl ether 393.94
    2,5,8-trioxanonane 320.27
    1-hexene 401.89
    2-isopropoxyethanol 84.23
    2,2,2-trifluoroethanol 18.65
    methyl butyrate 229.43

    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