2,2-Dimethylbutane

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  • Identifiers

    CAS number
    75-83-2

    Molecular formula
    C6H14

    SMILES
    CCC(C)(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Camphoreous 48.8%
    Fresh 37.61%
    Ethereal 37.57%
    Woody 32.77%
    Gassy 32.19%
    Mint 29.09%
    Pine 27.09%
    Solvent 24.89%
    Musty 23.77%
    Herbal 21.57%

     

    Flavor
    Pungent 33.6%
    Alkane 29.3%
    Gasoline 24.03%
    Ethereal 23.3%
    Camphor 22.84%
    Earthy 21.69%
    Fishy 21.25%
    Rotten 20.42%
    Green 19.61%
    Blackberry 19.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.58 (weak base)

    Molecular weight
    86.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -148 °F (NTP, 1992)
    • -99.9 °C
    • -148 °F

    Boiling point

    • 121.5 °F at 760 mmHg (NTP, 1992)
    • 49.7 °C
    • 121.5 °F

    Flash point

    • -39.86 ˚C est.
    • -54 °F (NTP, 1992)
    • -54 °F (-48 °C) closed cup
    • -54 °F

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • In water, 21.2 mg/L at 25 °C
    • Soluble in ethanol, diethyl ether; very soluble in acetone, benzene, petroleum ether, carbon tetrachloride

  • Synonyms

    • 2,2-DIMETHYLBUTANE
    • Neohexane
    • 75-83-2
    • Butane, 2,2-dimethyl-
    • HSDB 75
    • CCRIS 6019
    • EINECS 200-906-8
    • NSC 74126
    • UNII-07L56L3MP2
    • DTXSID4025111
    • 2,2-Dimethyl-butane
    • AI3-16043
    • 07L56L3MP2
    • NSC-74126
    • (CH3)3CCH2CH3
    • DIMETHYLBUTANE, 2,2-
    • DTXCID405111
    • 2,2-DIMETHYLBUTANE [HSDB]
    • 2-dimethylbutane
    • 2,2dimethylbutane
    • 2-dimethyl-butane
    • 3,3-dimethylbutane
    • Butane,2-dimethyl-
    • MFCD00009321
    • 2, 2-Dimethylbutane
    • Butane, 2,2dimethyl
    • 2,2-Dimethylbutane, 99%
    • CHEMBL142735
    • NSC74126
    • Tox21_200358
    • WLN: 2X1&1&1
    • AKOS024438081
    • 2,2-Dimethylbutane, analytical standard
    • CAS-75-83-2
    • NCGC00091659-01
    • NCGC00091659-02
    • NCGC00257912-01
    • 2,2-Dimethylbutane, >=99.0% (GC)
    • FD166931
    • DB-055991
    • D0689
    • NS00001089
    • D89700
    • Q209136
    • 3,3-Dimethylbutane; NSC 74126; Neohexane; tert-Butylethane
    • 200-906-8

  • Applications

    2,2-Dimethylbutane (CAS 75-83-2) is a branched C6 aliphatic hydrocarbon primarily used as a nonpolar solvent and diluent in industrial formulations. Typical applications include serving as a cleaning and degreasing solvent in manufacturing, acting as a component or diluent in coatings, inks, and adhesives, and functioning as an intermediate or feedstock in petrochemical processing to yield other branched hydrocarbons or C6 streams. It may also be employed as a processing solvent in polymer formulation and plastics processing, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 141.15
    methanol 104.13
    isopropanol 143.79
    water 0.45
    ethyl acetate 248.67
    n-propanol 152.38
    acetone 121.64
    n-butanol 188.31
    acetonitrile 103.66
    DMF 127.79
    toluene 168.25
    isobutanol 127.16
    1,4-dioxane 284.87
    methyl acetate 185.44
    THF 449.26
    2-butanone 195.66
    n-pentanol 127.74
    sec-butanol 204.65
    n-hexane 311.2
    ethylene glycol 28.33
    NMP 215.63
    cyclohexane 253.43
    DMSO 88.91
    n-butyl acetate 380.58
    n-octanol 250.41
    chloroform 436.09
    n-propyl acetate 146.23
    acetic acid 97.92
    dichloromethane 252.75
    cyclohexanone 232.34
    propylene glycol 68.16
    isopropyl acetate 214.24
    DMAc 224.93
    2-ethoxyethanol 121.49
    isopentanol 177.34
    n-heptane 528.76
    ethyl formate 76.38
    1,2-dichloroethane 160.64
    n-hexanol 408.14
    2-methoxyethanol 169.9
    isobutyl acetate 132.95
    tetrachloromethane 148.62
    n-pentyl acetate 192.9
    transcutol 496.78
    n-heptanol 239.51
    ethylbenzene 131.51
    MIBK 156.16
    2-propoxyethanol 375.5
    tert-butanol 236.04
    MTBE 361.66
    2-butoxyethanol 232.95
    propionic acid 124.49
    o-xylene 153.54
    formic acid 24.84
    diethyl ether 320.1
    m-xylene 147.71
    p-xylene 147.13
    chlorobenzene 151.76
    dimethyl carbonate 71.01
    n-octane 159.25
    formamide 32.19
    cyclopentanone 251.56
    2-pentanone 184.35
    anisole 187.61
    cyclopentyl methyl ether 342.31
    gamma-butyrolactone 210.81
    1-methoxy-2-propanol 203.4
    pyridine 213.57
    3-pentanone 199.11
    furfural 175.41
    n-dodecane 108.08
    diethylene glycol 152.58
    diisopropyl ether 218.69
    tert-amyl alcohol 315.38
    acetylacetone 161.57
    n-hexadecane 114.11
    acetophenone 142.75
    methyl propionate 176.81
    isopentyl acetate 339.19
    trichloroethylene 271.07
    n-nonanol 242.91
    cyclohexanol 201.35
    benzyl alcohol 98.11
    2-ethylhexanol 402.45
    isooctanol 199.25
    dipropyl ether 584.12
    1,2-dichlorobenzene 150.44
    ethyl lactate 94.86
    propylene carbonate 166.74
    n-methylformamide 62.28
    2-pentanol 195.81
    n-pentane 218.34
    1-propoxy-2-propanol 452.01
    1-methoxy-2-propyl acetate 348.74
    2-(2-methoxypropoxy) propanol 293.84
    mesitylene 125.55
    ε-caprolactone 242.03
    p-cymene 203.78
    epichlorohydrin 215.43
    1,1,1-trichloroethane 307.55
    2-aminoethanol 69.05
    morpholine-4-carbaldehyde 221.38
    sulfolane 217.93
    2,2,4-trimethylpentane 142.73
    2-methyltetrahydrofuran 416.99
    n-hexyl acetate 310.48
    isooctane 108.26
    2-(2-butoxyethoxy)ethanol 324.9
    sec-butyl acetate 167.85
    tert-butyl acetate 279.81
    decalin 159.54
    glycerin 74.08
    diglyme 398.58
    acrylic acid 89.78
    isopropyl myristate 212.27
    n-butyric acid 175.37
    acetyl acetate 160.97
    di(2-ethylhexyl) phthalate 141.52
    ethyl propionate 192.12
    nitromethane 106.57
    1,2-diethoxyethane 322.47
    benzonitrile 108.06
    trioctyl phosphate 117.94
    1-bromopropane 243.84
    gamma-valerolactone 239.67
    n-decanol 197.73
    triethyl phosphate 175.13
    4-methyl-2-pentanol 150.3
    propionitrile 150.12
    vinylene carbonate 117.79
    1,1,2-trichlorotrifluoroethane 195.61
    DMS 164.54
    cumene 120.1
    2-octanol 179.56
    2-hexanone 161.69
    octyl acetate 244.43
    limonene 325.51
    1,2-dimethoxyethane 221.39
    ethyl orthosilicate 192.53
    tributyl phosphate 136.2
    diacetone alcohol 221.55
    N,N-dimethylaniline 165.51
    acrylonitrile 119.59
    aniline 159.32
    1,3-propanediol 91.99
    bromobenzene 172.38
    dibromomethane 248.63
    1,1,2,2-tetrachloroethane 303.91
    2-methyl-cyclohexyl acetate 279.5
    tetrabutyl urea 158.61
    diisobutyl methanol 266.2
    2-phenylethanol 206.26
    styrene 136.13
    dioctyl adipate 202.29
    dimethyl sulfate 80.38
    ethyl butyrate 323.98
    methyl lactate 104.37
    butyl lactate 154.99
    diethyl carbonate 208.74
    propanediol butyl ether 173.41
    triethyl orthoformate 299.94
    p-tert-butyltoluene 222.44
    methyl 4-tert-butylbenzoate 260.04
    morpholine 319.35
    tert-butylamine 241.08
    n-dodecanol 166.15
    dimethoxymethane 143.78
    ethylene carbonate 111.15
    cyrene 147.19
    2-ethoxyethyl acetate 196.49
    2-ethylhexyl acetate 324.05
    1,2,4-trichlorobenzene 185.71
    4-methylpyridine 197.75
    dibutyl ether 371.66
    2,6-dimethyl-4-heptanol 266.2
    DEF 209.29
    dimethyl isosorbide 388.99
    tetrachloroethylene 195.99
    eugenol 186.44
    triacetin 244.36
    span 80 327.85
    1,4-butanediol 38.05
    1,1-dichloroethane 220.92
    2-methyl-1-pentanol 146.69
    methyl formate 44.05
    2-methyl-1-butanol 188.05
    n-decane 169.19
    butyronitrile 156.57
    3,7-dimethyl-1-octanol 283.58
    1-chlorooctane 264.68
    1-chlorotetradecane 135.95
    n-nonane 179.12
    undecane 129.71
    tert-butylcyclohexane 175.89
    cyclooctane 170.33
    cyclopentanol 182.63
    tetrahydropyran 397.14
    tert-amyl methyl ether 393.47
    2,5,8-trioxanonane 320.5
    1-hexene 331.69
    2-isopropoxyethanol 128.38
    2,2,2-trifluoroethanol 41.94
    methyl butyrate 183.38

    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