2,2-Dimethylpentane

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  • Identifiers

    CAS number
    590-35-2

    Molecular formula
    C7H16

    SMILES
    CCCC(C)(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Camphoreous 42.49%
    Woody 35.51%
    Ethereal 33.81%
    Fresh 32.52%
    Gassy 29.24%
    Mint 27.32%
    Pine 25.68%
    Sweet 25.67%
    Green 24.51%
    Musty 24.37%

     

    Flavor
    Alkane 33.72%
    Pungent 31.51%
    Gasoline 25.42%
    Ethereal 22.78%
    Fishy 22.28%
    Rotten 20.78%
    Camphor 20.58%
    Earthy 19.97%
    Terpenic 19.33%
    Decomposing cabbage 19.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    10.35 (weak base)

    Molecular weight
    100.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    79°C

    Flash point

    • -20.32 ˚C est.

  • Synonyms

    • 2,2-DIMETHYLPENTANE
    • 590-35-2
    • Pentane, 2,2-dimethyl-
    • UNII-M82T90QEVX
    • EINECS 209-680-5
    • M82T90QEVX
    • 1,1,1-Trimethylbutane
    • DTXSID5060439
    • Pentane, 2,2-dimethyl-; 2,2-Dimethylpentane
    • MFCD00009404
    • Trimethyl-propylmethane
    • 2,2-dimethyl-pentane
    • Pentane, 2,2dimethyl
    • DTXCID2042513
    • 2,2-Dimethylpentane, >=99%
    • AKOS015841490
    • LS-13368
    • DB-053308
    • D1673
    • NS00022445
    • D87693
    • Q2813768
    • 209-680-5

  • Applications

    2,2-Dimethylpentane (CAS 590-35-2) is a branched C7 alkane primarily employed as a nonpolar hydrocarbon solvent and carrier in industrial formulations. In practice it serves as a cleaning and degreasing solvent in maintenance and manufacturing, as a component of paint, coatings and ink formulations, as a constituent in adhesive solvent blends, and as a processing solvent or diluent in polymer and plastics manufacturing. It may also function as an intermediate or blending component in petrochemical feedstock streams. Use is governed by local regulations and formulation limits, with attention to flash point and environmental considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 345.01
    methanol 274.11
    isopropanol 315.27
    water 0.37
    ethyl acetate 450.13
    n-propanol 363.52
    acetone 291.62
    n-butanol 520.39
    acetonitrile 179.75
    DMF 214.86
    toluene 356.26
    isobutanol 322.92
    1,4-dioxane 628.71
    methyl acetate 320.42
    THF 1160.37
    2-butanone 402.18
    n-pentanol 312.94
    sec-butanol 449.13
    n-hexane 1169.1
    ethylene glycol 46.39
    NMP 493.17
    cyclohexane 1102.88
    DMSO 164.14
    n-butyl acetate 1043.56
    n-octanol 570.45
    chloroform 665.14
    n-propyl acetate 309.02
    acetic acid 217.96
    dichloromethane 434.09
    cyclohexanone 719.0
    propylene glycol 100.29
    isopropyl acetate 370.37
    DMAc 312.83
    2-ethoxyethanol 207.15
    isopentanol 492.31
    n-heptane 2037.99
    ethyl formate 174.58
    1,2-dichloroethane 299.11
    n-hexanol 1346.01
    2-methoxyethanol 334.35
    isobutyl acetate 282.43
    tetrachloromethane 287.34
    n-pentyl acetate 447.41
    transcutol 846.12
    n-heptanol 553.26
    ethylbenzene 246.8
    MIBK 340.86
    2-propoxyethanol 827.44
    tert-butanol 530.6
    MTBE 859.85
    2-butoxyethanol 436.15
    propionic acid 237.25
    o-xylene 305.62
    formic acid 46.23
    diethyl ether 835.71
    m-xylene 305.78
    p-xylene 302.54
    chlorobenzene 287.1
    dimethyl carbonate 91.68
    n-octane 497.06
    formamide 38.83
    cyclopentanone 608.05
    2-pentanone 437.31
    anisole 265.56
    cyclopentyl methyl ether 963.59
    gamma-butyrolactone 468.98
    1-methoxy-2-propanol 331.66
    pyridine 342.28
    3-pentanone 413.61
    furfural 290.08
    n-dodecane 271.54
    diethylene glycol 274.62
    diisopropyl ether 525.26
    tert-amyl alcohol 673.88
    acetylacetone 287.53
    n-hexadecane 290.18
    acetophenone 201.75
    methyl propionate 310.47
    isopentyl acetate 929.34
    trichloroethylene 416.58
    n-nonanol 536.61
    cyclohexanol 696.56
    benzyl alcohol 143.77
    2-ethylhexanol 1362.12
    isooctanol 463.05
    dipropyl ether 1569.82
    1,2-dichlorobenzene 256.93
    ethyl lactate 138.95
    propylene carbonate 348.76
    n-methylformamide 107.41
    2-pentanol 487.01
    n-pentane 790.53
    1-propoxy-2-propanol 993.23
    1-methoxy-2-propyl acetate 639.63
    2-(2-methoxypropoxy) propanol 453.38
    mesitylene 265.52
    ε-caprolactone 655.36
    p-cymene 441.75
    epichlorohydrin 417.3
    1,1,1-trichloroethane 495.6
    2-aminoethanol 122.13
    morpholine-4-carbaldehyde 402.26
    sulfolane 490.8
    2,2,4-trimethylpentane 432.86
    2-methyltetrahydrofuran 1193.47
    n-hexyl acetate 740.74
    isooctane 351.97
    2-(2-butoxyethoxy)ethanol 536.52
    sec-butyl acetate 306.95
    tert-butyl acetate 525.22
    decalin 454.71
    glycerin 116.27
    diglyme 680.78
    acrylic acid 135.77
    isopropyl myristate 419.88
    n-butyric acid 414.57
    acetyl acetate 243.37
    di(2-ethylhexyl) phthalate 234.22
    ethyl propionate 317.79
    nitromethane 178.47
    1,2-diethoxyethane 674.06
    benzonitrile 188.3
    trioctyl phosphate 253.32
    1-bromopropane 565.32
    gamma-valerolactone 551.89
    n-decanol 429.84
    triethyl phosphate 305.27
    4-methyl-2-pentanol 356.08
    propionitrile 264.87
    vinylene carbonate 218.22
    1,1,2-trichlorotrifluoroethane 293.05
    DMS 270.4
    cumene 221.99
    2-octanol 414.88
    2-hexanone 397.78
    octyl acetate 486.58
    limonene 917.36
    1,2-dimethoxyethane 446.09
    ethyl orthosilicate 355.97
    tributyl phosphate 302.76
    diacetone alcohol 400.37
    N,N-dimethylaniline 230.7
    acrylonitrile 169.92
    aniline 259.73
    1,3-propanediol 181.38
    bromobenzene 336.51
    dibromomethane 490.66
    1,1,2,2-tetrachloroethane 449.13
    2-methyl-cyclohexyl acetate 642.48
    tetrabutyl urea 356.03
    diisobutyl methanol 717.44
    2-phenylethanol 367.53
    styrene 240.32
    dioctyl adipate 377.98
    dimethyl sulfate 104.38
    ethyl butyrate 656.89
    methyl lactate 130.29
    butyl lactate 307.37
    diethyl carbonate 363.04
    propanediol butyl ether 343.51
    triethyl orthoformate 610.95
    p-tert-butyltoluene 460.97
    methyl 4-tert-butylbenzoate 366.14
    morpholine 681.86
    tert-butylamine 586.6
    n-dodecanol 358.36
    dimethoxymethane 261.68
    ethylene carbonate 232.79
    cyrene 228.02
    2-ethoxyethyl acetate 371.94
    2-ethylhexyl acetate 925.14
    1,2,4-trichlorobenzene 290.04
    4-methylpyridine 384.97
    dibutyl ether 1044.8
    2,6-dimethyl-4-heptanol 717.44
    DEF 424.27
    dimethyl isosorbide 631.48
    tetrachloroethylene 341.59
    eugenol 269.81
    triacetin 375.45
    span 80 548.17
    1,4-butanediol 73.57
    1,1-dichloroethane 380.65
    2-methyl-1-pentanol 361.62
    methyl formate 82.51
    2-methyl-1-butanol 503.33
    n-decane 472.09
    butyronitrile 371.6
    3,7-dimethyl-1-octanol 699.93
    1-chlorooctane 651.66
    1-chlorotetradecane 303.65
    n-nonane 556.7
    undecane 339.29
    tert-butylcyclohexane 522.87
    cyclooctane 647.29
    cyclopentanol 506.44
    tetrahydropyran 1144.48
    tert-amyl methyl ether 877.03
    2,5,8-trioxanonane 509.61
    1-hexene 987.22
    2-isopropoxyethanol 222.98
    2,2,2-trifluoroethanol 61.52
    methyl butyrate 368.77

    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