2,3-Dimethylbutane

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  • Identifiers

    CAS number
    79-29-8

    Molecular formula
    C6H14

    SMILES
    CC(C)C(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Ethereal 47.52%
    Fresh 45.62%
    Camphoreous 42.77%
    Gassy 38.04%
    Mint 29.4%
    Woody 28.86%
    Solvent 27.34%
    Pungent 25.36%
    Pine 25.36%
    Herbal 23.53%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.41 (weak base)

    Molecular weight
    86.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -199.3 °F (NTP, 1992)
    • -128.8 °C
    • Heat of Fusion at Melting Point = 7.9914X10+5 J/kmol
    • -199.3 °F

    Boiling point

    • 136.4 °F at 760 mmHg (NTP, 1992)
    • 57.9 °C @ 760 MM HG
    • 136.4 °F

    Flash point est.
    -29.64 ˚C

    Flash point expt.

    • -20 °F (NTP, 1992)
    • -29 °C
    • -20 °F (-29 °C) (CLOSED CUP)
    • -20 °F

    Solubility expt.

    • less than 1 mg/mL at 74.3 °F (NTP, 1992)
    • SOL IN ETHANOL, ETHER; VERY SOL IN ACETONE
    • Water solubility = 22.5 mg/l at 25 °C

  • Synonyms

    • 2,3-DIMETHYLBUTANE
    • 79-29-8
    • Diisopropyl
    • Biisopropyl
    • Butane, 2,3-dimethyl-
    • 1,1,2,2-Tetramethylethane
    • HSDB 76
    • CCRIS 6020
    • EINECS 201-193-6
    • NSC 24837
    • UN2457
    • UNII-68ISQ7A432
    • (CH3)2CHCH(CH3)2
    • DTXSID9025112
    • 68ISQ7A432
    • NSC-24837
    • 23DMB
    • DIMETHYLBUTANE, 2,3-
    • DTXCID805112
    • CHEBI:141560
    • 2,3-DIMETHYLBUTANE [HSDB]
    • UN 2457
    • MFCD00008925
    • diisopropyl-
    • Butane, 2,3-dimethyl-; 2,3-Dimethylbutane; 1,1,2,2-Tetramethylethane; Biisopropyl; Diisopropyl; NSC 24837
    • 2,3-dimethyl-butane
    • Butane, 2,3dimethyl
    • 1,1,2,2Tetramethylethane
    • 2,3-Dimethylbutane, 98%
    • CHEMBL1344453
    • WLN: 1Y1&Y1&1
    • NSC24837
    • Tox21_200674
    • AKOS009155334
    • 2,3-Dimethylbutane, analytical standard
    • CAS-79-29-8
    • NCGC00091767-01
    • NCGC00091767-02
    • NCGC00258228-01
    • D0690
    • NS00008608
    • Q209178
    • 2,3-Dimethylbutane [UN2457] [Flammable liquid]
    • ASTM Method D5191 Vapor Pressure - 51.1kPa (7.41 psi)
    • 201-193-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 115.05
    methanol 64.59
    isopropanol 128.08
    water 0.11
    ethyl acetate 237.74
    n-propanol 138.56
    acetone 111.89
    n-butanol 173.81
    acetonitrile 107.35
    DMF 88.06
    toluene 161.72
    isobutanol 112.15
    1,4-dioxane 300.72
    methyl acetate 168.68
    THF 526.28
    2-butanone 203.82
    n-pentanol 114.47
    sec-butanol 185.95
    n-hexane 299.1
    ethylene glycol 13.61
    NMP 177.79
    cyclohexane 268.74
    DMSO 82.33
    n-butyl acetate 442.53
    n-octanol 169.43
    chloroform 525.27
    n-propyl acetate 152.5
    acetic acid 77.21
    dichloromethane 323.16
    cyclohexanone 265.24
    propylene glycol 38.37
    isopropyl acetate 188.88
    DMAc 142.19
    2-ethoxyethanol 96.98
    isopentanol 162.7
    n-heptane 466.17
    ethyl formate 80.93
    1,2-dichloroethane 212.46
    n-hexanol 332.36
    2-methoxyethanol 119.38
    isobutyl acetate 123.77
    tetrachloromethane 182.16
    n-pentyl acetate 196.08
    transcutol 441.45
    n-heptanol 174.87
    ethylbenzene 117.1
    MIBK 137.25
    2-propoxyethanol 269.74
    tert-butanol 213.11
    MTBE 328.03
    2-butoxyethanol 177.62
    propionic acid 100.72
    o-xylene 122.14
    formic acid 12.68
    diethyl ether 330.31
    m-xylene 117.41
    p-xylene 144.16
    chlorobenzene 172.81
    dimethyl carbonate 43.3
    n-octane 128.98
    formamide 19.87
    cyclopentanone 295.78
    2-pentanone 191.03
    anisole 153.16
    cyclopentyl methyl ether 314.14
    gamma-butyrolactone 243.46
    1-methoxy-2-propanol 143.58
    pyridine 236.47
    3-pentanone 177.48
    furfural 189.97
    n-dodecane 70.46
    diethylene glycol 95.49
    diisopropyl ether 179.83
    tert-amyl alcohol 266.13
    acetylacetone 154.97
    n-hexadecane 77.01
    acetophenone 126.7
    methyl propionate 144.55
    isopentyl acetate 343.74
    trichloroethylene 345.09
    n-nonanol 167.81
    cyclohexanol 190.97
    benzyl alcohol 83.83
    2-ethylhexanol 337.5
    isooctanol 150.27
    dipropyl ether 574.02
    1,2-dichlorobenzene 163.56
    ethyl lactate 70.1
    propylene carbonate 189.49
    n-methylformamide 42.59
    2-pentanol 171.48
    n-pentane 207.8
    1-propoxy-2-propanol 341.56
    1-methoxy-2-propyl acetate 261.48
    2-(2-methoxypropoxy) propanol 200.22
    mesitylene 92.82
    ε-caprolactone 274.62
    p-cymene 172.88
    epichlorohydrin 255.51
    1,1,1-trichloroethane 376.44
    2-aminoethanol 39.51
    morpholine-4-carbaldehyde 169.97
    sulfolane 233.77
    2,2,4-trimethylpentane 102.62
    2-methyltetrahydrofuran 475.06
    n-hexyl acetate 265.35
    isooctane 77.64
    2-(2-butoxyethoxy)ethanol 263.69
    sec-butyl acetate 153.22
    tert-butyl acetate 216.39
    decalin 125.36
    glycerin 38.96
    diglyme 364.28
    acrylic acid 68.99
    isopropyl myristate 160.78
    n-butyric acid 174.94
    acetyl acetate 144.43
    di(2-ethylhexyl) phthalate 104.82
    ethyl propionate 170.54
    nitromethane 88.0
    1,2-diethoxyethane 339.21
    benzonitrile 130.09
    trioctyl phosphate 91.85
    1-bromopropane 305.71
    gamma-valerolactone 244.93
    n-decanol 134.97
    triethyl phosphate 147.26
    4-methyl-2-pentanol 121.94
    propionitrile 154.51
    vinylene carbonate 121.9
    1,1,2-trichlorotrifluoroethane 161.35
    DMS 123.58
    cumene 98.02
    2-octanol 139.94
    2-hexanone 178.36
    octyl acetate 186.4
    limonene 279.91
    1,2-dimethoxyethane 225.31
    ethyl orthosilicate 165.18
    tributyl phosphate 111.2
    diacetone alcohol 179.22
    N,N-dimethylaniline 116.94
    acrylonitrile 119.72
    aniline 134.96
    1,3-propanediol 68.56
    bromobenzene 202.49
    dibromomethane 300.08
    1,1,2,2-tetrachloroethane 352.77
    2-methyl-cyclohexyl acetate 241.89
    tetrabutyl urea 116.45
    diisobutyl methanol 223.29
    2-phenylethanol 166.94
    styrene 127.5
    dioctyl adipate 167.85
    dimethyl sulfate 55.05
    ethyl butyrate 341.84
    methyl lactate 59.71
    butyl lactate 132.01
    diethyl carbonate 200.5
    propanediol butyl ether 113.86
    triethyl orthoformate 278.86
    p-tert-butyltoluene 182.86
    methyl 4-tert-butylbenzoate 176.98
    morpholine 314.69
    tert-butylamine 217.37
    n-dodecanol 112.9
    dimethoxymethane 96.09
    ethylene carbonate 118.15
    cyrene 107.11
    2-ethoxyethyl acetate 188.56
    2-ethylhexyl acetate 329.41
    1,2,4-trichlorobenzene 189.0
    4-methylpyridine 207.94
    dibutyl ether 369.06
    2,6-dimethyl-4-heptanol 223.29
    DEF 174.87
    dimethyl isosorbide 302.9
    tetrachloroethylene 228.44
    eugenol 141.52
    triacetin 179.81
    span 80 232.03
    1,4-butanediol 26.31
    1,1-dichloroethane 275.56
    2-methyl-1-pentanol 137.23
    methyl formate 32.16
    2-methyl-1-butanol 161.54
    n-decane 119.72
    butyronitrile 185.38
    3,7-dimethyl-1-octanol 202.9
    1-chlorooctane 207.05
    1-chlorotetradecane 100.09
    n-nonane 133.55
    undecane 87.95
    tert-butylcyclohexane 128.41
    cyclooctane 141.47
    cyclopentanol 172.78
    tetrahydropyran 455.65
    tert-amyl methyl ether 295.52
    2,5,8-trioxanonane 265.67
    1-hexene 348.22
    2-isopropoxyethanol 106.37
    2,2,2-trifluoroethanol 29.63
    methyl butyrate 190.7

    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