2,2,3-Trimethylbutane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    464-06-2

    Molecular formula
    C7H16

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Camphoreous 51.6%
    Woody 44.13%
    Fresh 42.52%
    Pine 33.2%
    Mint 31.46%
    Ethereal 30.78%
    Gassy 27.53%
    Herbal 26.65%
    Earthy 24.71%
    Terpenic 23.85%

     

    Flavor
    Pungent 27.72%
    Camphor 25.79%
    Alkane 22.22%
    Green 21.08%
    Gasoline 21.02%
    Woody 20.48%
    Rotten 19.99%
    Blackberry 19.16%
    Catty 19.0%
    Fishy 18.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    10.3 (weak base)

    Molecular weight
    100.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    78°C

    Flash point

    • -18.06 ˚C est.

  • Synonyms

    • 2,2,3-TRIMETHYLBUTANE
    • Triptan
    • 464-06-2
    • Triptane
    • Butane, 2,2,3-trimethyl-
    • trimethylbutane
    • Pentamethylethane
    • UNII-40V943JDGR
    • NSC-73938
    • 40V943JDGR
    • EINECS 207-346-3
    • 2,2,3-trimethyl-butane
    • NSC 73938
    • DTXSID7060047
    • MFCD00039846
    • 2,3-Trimethylbutane
    • Butane,2,3-trimethyl-
    • Butane, 2,2,3trimethyl
    • CHEMBL4297446
    • DTXCID3040489
    • 2,2,3-Trimethylbutane, >=99%
    • NSC73938
    • AKOS015903139
    • NS00031603
    • T0711
    • D92381
    • Q209116
    • BRD-K19427720-001-01-6
    • 207-346-3

  • Applications

    2,2,3-Trimethylbutane (CAS 464-06-2) is used primarily as a nonpolar solvent and processing diluent in industrial manufacturing, notably in coatings, inks, and adhesives where it helps dissolve resins and facilitate even application; it also serves as a cleaning and degreasing solvent for equipment and surfaces during maintenance. In plastics and polymer processing, it acts as a solvent/diluent to aid resin formulation and downstream mixing. It can be employed as an intermediate or reactant in organic synthesis, providing a branched hydrocarbon fragment for downstream transformations. As a hydrocarbon component, it may be used as a blending agent in hydrocarbon fuel formulations where permitted by regulations. In laboratory settings, it functions as a general-purpose solvent for sample preparation and chromatographic work. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 193.74
    methanol 131.61
    isopropanol 209.21
    water 0.54
    ethyl acetate 378.2
    n-propanol 212.83
    acetone 213.05
    n-butanol 247.49
    acetonitrile 183.93
    DMF 215.26
    toluene 260.92
    isobutanol 174.7
    1,4-dioxane 458.86
    methyl acetate 308.29
    THF 731.71
    2-butanone 322.96
    n-pentanol 172.92
    sec-butanol 281.58
    n-hexane 341.5
    ethylene glycol 29.14
    NMP 316.04
    cyclohexane 301.39
    DMSO 146.99
    n-butyl acetate 488.7
    n-octanol 287.4
    chloroform 718.7
    n-propyl acetate 215.3
    acetic acid 133.37
    dichloromethane 426.77
    cyclohexanone 357.42
    propylene glycol 75.07
    isopropyl acetate 316.04
    DMAc 330.25
    2-ethoxyethanol 164.81
    isopentanol 229.53
    n-heptane 488.38
    ethyl formate 130.19
    1,2-dichloroethane 273.68
    n-hexanol 480.26
    2-methoxyethanol 213.79
    isobutyl acetate 191.95
    tetrachloromethane 233.93
    n-pentyl acetate 268.96
    transcutol 634.59
    n-heptanol 280.02
    ethylbenzene 196.19
    MIBK 237.07
    2-propoxyethanol 445.4
    tert-butanol 339.72
    MTBE 536.82
    2-butoxyethanol 288.14
    propionic acid 161.69
    o-xylene 220.27
    formic acid 30.32
    diethyl ether 444.88
    m-xylene 217.16
    p-xylene 244.68
    chlorobenzene 246.08
    dimethyl carbonate 106.72
    n-octane 168.54
    formamide 50.82
    cyclopentanone 419.04
    2-pentanone 287.89
    anisole 288.14
    cyclopentyl methyl ether 485.73
    gamma-butyrolactone 361.17
    1-methoxy-2-propanol 266.29
    pyridine 331.93
    3-pentanone 296.67
    furfural 282.31
    n-dodecane 110.46
    diethylene glycol 171.96
    diisopropyl ether 294.08
    tert-amyl alcohol 402.47
    acetylacetone 265.3
    n-hexadecane 119.19
    acetophenone 219.82
    methyl propionate 263.61
    isopentyl acetate 452.12
    trichloroethylene 445.48
    n-nonanol 279.54
    cyclohexanol 255.66
    benzyl alcohol 147.13
    2-ethylhexanol 437.74
    isooctanol 236.53
    dipropyl ether 654.51
    1,2-dichlorobenzene 241.96
    ethyl lactate 116.21
    propylene carbonate 269.62
    n-methylformamide 100.63
    2-pentanol 249.64
    n-pentane 250.85
    1-propoxy-2-propanol 499.64
    1-methoxy-2-propyl acetate 428.06
    2-(2-methoxypropoxy) propanol 350.9
    mesitylene 176.56
    ε-caprolactone 378.69
    p-cymene 258.02
    epichlorohydrin 369.45
    1,1,1-trichloroethane 508.55
    2-aminoethanol 81.52
    morpholine-4-carbaldehyde 314.64
    sulfolane 338.85
    2,2,4-trimethylpentane 159.96
    2-methyltetrahydrofuran 645.98
    n-hexyl acetate 421.79
    isooctane 125.96
    2-(2-butoxyethoxy)ethanol 406.72
    sec-butyl acetate 230.08
    tert-butyl acetate 387.63
    decalin 184.07
    glycerin 72.83
    diglyme 528.56
    acrylic acid 121.17
    isopropyl myristate 263.78
    n-butyric acid 247.52
    acetyl acetate 251.97
    di(2-ethylhexyl) phthalate 175.87
    ethyl propionate 267.93
    nitromethane 175.9
    1,2-diethoxyethane 417.97
    benzonitrile 180.06
    trioctyl phosphate 145.39
    1-bromopropane 382.94
    gamma-valerolactone 394.77
    n-decanol 227.18
    triethyl phosphate 214.37
    4-methyl-2-pentanol 203.49
    propionitrile 232.66
    vinylene carbonate 194.85
    1,1,2-trichlorotrifluoroethane 255.61
    DMS 233.71
    cumene 174.55
    2-octanol 221.49
    2-hexanone 251.64
    octyl acetate 303.08
    limonene 380.33
    1,2-dimethoxyethane 324.85
    ethyl orthosilicate 233.2
    tributyl phosphate 173.37
    diacetone alcohol 299.61
    N,N-dimethylaniline 237.31
    acrylonitrile 200.51
    aniline 234.49
    1,3-propanediol 113.69
    bromobenzene 279.56
    dibromomethane 382.9
    1,1,2,2-tetrachloroethane 461.53
    2-methyl-cyclohexyl acetate 341.66
    tetrabutyl urea 192.96
    diisobutyl methanol 300.67
    2-phenylethanol 261.2
    styrene 207.42
    dioctyl adipate 259.85
    dimethyl sulfate 123.94
    ethyl butyrate 413.06
    methyl lactate 130.15
    butyl lactate 198.1
    diethyl carbonate 270.22
    propanediol butyl ether 206.39
    triethyl orthoformate 361.9
    p-tert-butyltoluene 288.16
    methyl 4-tert-butylbenzoate 337.87
    morpholine 495.08
    tert-butylamine 327.93
    n-dodecanol 189.18
    dimethoxymethane 206.48
    ethylene carbonate 183.4
    cyrene 190.29
    2-ethoxyethyl acetate 281.18
    2-ethylhexyl acetate 413.64
    1,2,4-trichlorobenzene 285.71
    4-methylpyridine 327.42
    dibutyl ether 459.76
    2,6-dimethyl-4-heptanol 300.67
    DEF 295.09
    dimethyl isosorbide 505.92
    tetrachloroethylene 304.05
    eugenol 243.82
    triacetin 314.21
    span 80 364.23
    1,4-butanediol 48.68
    1,1-dichloroethane 394.43
    2-methyl-1-pentanol 199.06
    methyl formate 73.12
    2-methyl-1-butanol 236.02
    n-decane 174.89
    butyronitrile 248.69
    3,7-dimethyl-1-octanol 327.77
    1-chlorooctane 307.81
    1-chlorotetradecane 159.14
    n-nonane 185.61
    undecane 135.38
    tert-butylcyclohexane 201.3
    cyclooctane 179.17
    cyclopentanol 245.39
    tetrahydropyran 591.63
    tert-amyl methyl ether 504.34
    2,5,8-trioxanonane 409.27
    1-hexene 413.02
    2-isopropoxyethanol 176.68
    2,2,2-trifluoroethanol 63.69
    methyl butyrate 271.88

    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

Botanical

Name CAS Botanical Proportion
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%