2,2,6-Trimethylheptane

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  • Identifiers

    CAS number
    1190-83-6

    Molecular formula
    C10H22

    SMILES
    CC(C)CCCC(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 46.0%
    Herbal 38.16%
    Fresh 36.97%
    Camphoreous 33.73%
    Pine 31.64%
    Green 31.27%
    Citrus 28.46%
    Oily 28.35%
    Terpenic 27.88%
    Mint 26.79%

     

    Flavor
    Alkane 29.5%
    Gasoline 23.92%
    Yeasty 20.6%
    Pungent 20.38%
    Delicate 20.29%
    Rotten 20.23%
    Leathery 20.12%
    Bloody 19.72%
    Glue 19.64%
    Skunky 19.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    9.5 (weak base)

    Molecular weight
    142.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    153°C

    Flash point

    • 35.09 ˚C est.

  • Synonyms

    • 2,2,6-trimethylheptane
    • 1190-83-6
    • DTXSID50870856
    • RefChem:1059044
    • DTXCID40818540
    • Heptane, 2,2,6-trimethyl-
    • 2,2,6-trimethyl-heptane
    • heptane,2,6,6-trimethyl
    • SCHEMBL598576
    • SCHEMBL893441
    • SCHEMBL3370879
    • SCHEMBL3694379
    • SCHEMBL3926748
    • SCHEMBL4214647
    • SCHEMBL7708604
    • Q5651167
    • 1190-83-6

  • Applications

    2,2,6-Trimethylheptane (CAS 1190-83-6) is a branched, non-polar aliphatic hydrocarbon with a C10 skeleton. Practical applications include use as a solvent and diluent in coatings, inks, and adhesives; as a processing solvent in plastics and polymer formulation; in industrial cleaning and degreasing formulations; as a component in fuel blends to adjust volatility and distillation behavior; and as a processing solvent or diluent in petrochemical processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.42
    methanol 108.66
    isopropanol 209.11
    water 0.06
    ethyl acetate 336.14
    n-propanol 217.3
    acetone 193.28
    n-butanol 323.46
    acetonitrile 106.62
    DMF 134.1
    toluene 331.05
    isobutanol 187.4
    1,4-dioxane 640.84
    methyl acetate 189.2
    THF 1223.16
    2-butanone 259.75
    n-pentanol 226.47
    sec-butanol 267.42
    n-hexane 724.76
    ethylene glycol 17.18
    NMP 253.67
    cyclohexane 847.24
    DMSO 127.92
    n-butyl acetate 951.1
    n-octanol 433.7
    chloroform 548.39
    n-propyl acetate 280.74
    acetic acid 100.38
    dichloromethane 352.03
    cyclohexanone 546.08
    propylene glycol 56.04
    isopropyl acetate 337.26
    DMAc 180.07
    2-ethoxyethanol 165.45
    isopentanol 334.86
    n-heptane 1681.24
    ethyl formate 123.62
    1,2-dichloroethane 243.49
    n-hexanol 950.95
    2-methoxyethanol 216.74
    isobutyl acetate 277.69
    tetrachloromethane 171.55
    n-pentyl acetate 365.62
    transcutol 822.28
    n-heptanol 427.45
    ethylbenzene 240.56
    MIBK 305.77
    2-propoxyethanol 640.79
    tert-butanol 363.74
    MTBE 676.98
    2-butoxyethanol 362.94
    propionic acid 111.7
    o-xylene 230.2
    formic acid 14.37
    diethyl ether 562.29
    m-xylene 283.89
    p-xylene 293.33
    chlorobenzene 250.62
    dimethyl carbonate 59.36
    n-octane 386.28
    formamide 18.49
    cyclopentanone 466.27
    2-pentanone 328.74
    anisole 278.01
    cyclopentyl methyl ether 735.84
    gamma-butyrolactone 334.15
    1-methoxy-2-propanol 249.31
    pyridine 365.25
    3-pentanone 246.13
    furfural 239.27
    n-dodecane 237.61
    diethylene glycol 183.71
    diisopropyl ether 402.18
    tert-amyl alcohol 405.66
    acetylacetone 247.07
    n-hexadecane 266.15
    acetophenone 192.0
    methyl propionate 195.78
    isopentyl acetate 938.15
    trichloroethylene 333.08
    n-nonanol 431.76
    cyclohexanol 438.09
    benzyl alcohol 131.51
    2-ethylhexanol 1084.25
    isooctanol 373.0
    dipropyl ether 1489.18
    1,2-dichlorobenzene 222.23
    ethyl lactate 107.98
    propylene carbonate 262.61
    n-methylformamide 55.32
    2-pentanol 301.14
    n-pentane 452.73
    1-propoxy-2-propanol 840.82
    1-methoxy-2-propyl acetate 610.88
    2-(2-methoxypropoxy) propanol 412.84
    mesitylene 250.66
    ε-caprolactone 464.94
    p-cymene 442.31
    epichlorohydrin 396.78
    1,1,1-trichloroethane 371.77
    2-aminoethanol 59.8
    morpholine-4-carbaldehyde 315.19
    sulfolane 337.86
    2,2,4-trimethylpentane 255.51
    2-methyltetrahydrofuran 1019.43
    n-hexyl acetate 600.24
    isooctane 252.29
    2-(2-butoxyethoxy)ethanol 513.44
    sec-butyl acetate 299.53
    tert-butyl acetate 470.72
    decalin 386.36
    glycerin 57.06
    diglyme 731.64
    acrylic acid 62.41
    isopropyl myristate 393.16
    n-butyric acid 280.04
    acetyl acetate 187.46
    di(2-ethylhexyl) phthalate 219.67
    ethyl propionate 263.23
    nitromethane 99.38
    1,2-diethoxyethane 633.78
    benzonitrile 196.2
    trioctyl phosphate 224.18
    1-bromopropane 453.09
    gamma-valerolactone 456.91
    n-decanol 357.27
    triethyl phosphate 314.62
    4-methyl-2-pentanol 269.72
    propionitrile 168.63
    vinylene carbonate 164.97
    1,1,2-trichlorotrifluoroethane 193.68
    DMS 196.98
    cumene 209.95
    2-octanol 309.06
    2-hexanone 339.33
    octyl acetate 411.87
    limonene 829.43
    1,2-dimethoxyethane 440.54
    ethyl orthosilicate 365.22
    tributyl phosphate 259.75
    diacetone alcohol 340.11
    N,N-dimethylaniline 230.85
    acrylonitrile 109.28
    aniline 223.72
    1,3-propanediol 112.43
    bromobenzene 314.97
    dibromomethane 376.01
    1,1,2,2-tetrachloroethane 372.98
    2-methyl-cyclohexyl acetate 653.92
    tetrabutyl urea 303.23
    diisobutyl methanol 656.89
    2-phenylethanol 336.35
    styrene 240.53
    dioctyl adipate 394.79
    dimethyl sulfate 65.56
    ethyl butyrate 670.02
    methyl lactate 82.83
    butyl lactate 245.74
    diethyl carbonate 355.92
    propanediol butyl ether 243.06
    triethyl orthoformate 648.66
    p-tert-butyltoluene 493.74
    methyl 4-tert-butylbenzoate 324.26
    morpholine 706.13
    tert-butylamine 417.41
    n-dodecanol 311.67
    dimethoxymethane 205.07
    ethylene carbonate 176.95
    cyrene 210.35
    2-ethoxyethyl acetate 307.05
    2-ethylhexyl acetate 884.61
    1,2,4-trichlorobenzene 253.07
    4-methylpyridine 379.4
    dibutyl ether 931.87
    2,6-dimethyl-4-heptanol 656.89
    DEF 296.04
    dimethyl isosorbide 671.76
    tetrachloroethylene 233.61
    eugenol 224.14
    triacetin 324.8
    span 80 484.53
    1,4-butanediol 43.24
    1,1-dichloroethane 302.05
    2-methyl-1-pentanol 260.26
    methyl formate 41.88
    2-methyl-1-butanol 288.33
    n-decane 395.4
    butyronitrile 287.94
    3,7-dimethyl-1-octanol 548.88
    1-chlorooctane 540.81
    1-chlorotetradecane 277.6
    n-nonane 436.48
    undecane 295.64
    tert-butylcyclohexane 389.24
    cyclooctane 479.72
    cyclopentanol 329.59
    tetrahydropyran 1098.34
    tert-amyl methyl ether 630.2
    2,5,8-trioxanonane 540.57
    1-hexene 727.02
    2-isopropoxyethanol 180.93
    2,2,2-trifluoroethanol 24.06
    methyl butyrate 312.23

    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