2,2,3-Trimethylpentane

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  • Identifiers

    CAS number
    564-02-3

    Molecular formula
    C8H18

    SMILES
    CCC(C)C(C)(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 45.32%
    Camphoreous 42.17%
    Fresh 35.6%
    Pine 31.3%
    Herbal 26.93%
    Dry 26.32%
    Ethereal 26.05%
    Gassy 25.53%
    Mint 24.83%
    Terpenic 22.96%

     

    Flavor
    Alkane 28.64%
    Pungent 26.41%
    Camphor 23.74%
    Gasoline 23.28%
    Woody 21.07%
    Rotten 20.28%
    Catty 19.23%
    Blackberry 19.12%
    Bloody 19.01%
    Terpenic 18.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    10.36 (weak base)

    Molecular weight
    114.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    107°C

    Flash point

    • -2.42 ˚C est.

  • Synonyms

    • 2,2,3-TRIMETHYLPENTANE
    • 564-02-3
    • Pentane, 2,2,3-trimethyl-
    • MFCD00059241
    • 1P0B7R5K5T
    • NSC-73954
    • UNII-1P0B7R5K5T
    • NSC73954
    • EINECS 209-266-4
    • NSC 73954
    • Trimethylpentane; 99%
    • Pentane,2,3-trimethyl-
    • 2-TERT-BUTYLBUTANE
    • SCHEMBL132888
    • SCHEMBL163361
    • SCHEMBL233272
    • SCHEMBL497672
    • SCHEMBL1402254
    • SCHEMBL1896248
    • SCHEMBL4620578
    • SCHEMBL6248298
    • SCHEMBL10472343
    • SCHEMBL15104735
    • DTXSID60862202
    • (CH3)3CCH(CH3)CH2CH3
    • AKOS015903451
    • (+/-)-2,2,3-TRIMETHYLPENTANE
    • FT159360
    • NS00043295
    • T0689
    • T72627
    • Q2813762
    • 564-02-3

  • Applications

    2,2,3-Trimethylpentane is a branched alkane commonly used as a nonpolar solvent and diluent in a range of industrial formulations. It may serve as a component in gasoline blends to adjust volatility and fuel characteristics; it can function as a solvent in coating, paint, and ink formulations; it can act as an intermediate in petrochemical processing or in organic synthesis; it is used in industrial cleaning and degreasing formulations; and, depending on local regulations and formulation limits, may be considered as a processing aid in polymers or as a reference solvent in analytical laboratories for hydrocarbon analyses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.47
    methanol 164.93
    isopropanol 237.91
    water 0.17
    ethyl acetate 470.33
    n-propanol 274.01
    acetone 238.0
    n-butanol 392.9
    acetonitrile 184.55
    DMF 182.16
    toluene 380.03
    isobutanol 244.23
    1,4-dioxane 694.94
    methyl acetate 311.79
    THF 1234.46
    2-butanone 397.29
    n-pentanol 260.99
    sec-butanol 343.38
    n-hexane 784.8
    ethylene glycol 20.13
    NMP 383.05
    cyclohexane 755.53
    DMSO 148.14
    n-butyl acetate 1128.48
    n-octanol 444.13
    chloroform 800.33
    n-propyl acetate 330.86
    acetic acid 125.67
    dichloromethane 553.25
    cyclohexanone 624.4
    propylene glycol 51.51
    isopropyl acetate 414.92
    DMAc 273.66
    2-ethoxyethanol 194.89
    isopentanol 392.33
    n-heptane 1265.21
    ethyl formate 173.17
    1,2-dichloroethane 391.49
    n-hexanol 1024.83
    2-methoxyethanol 251.67
    isobutyl acetate 304.67
    tetrachloromethane 312.65
    n-pentyl acetate 480.87
    transcutol 909.97
    n-heptanol 461.8
    ethylbenzene 251.58
    MIBK 346.58
    2-propoxyethanol 674.07
    tert-butanol 425.85
    MTBE 852.7
    2-butoxyethanol 402.69
    propionic acid 153.93
    o-xylene 297.57
    formic acid 22.91
    diethyl ether 796.68
    m-xylene 301.7
    p-xylene 326.26
    chlorobenzene 344.01
    dimethyl carbonate 85.82
    n-octane 342.19
    formamide 31.56
    cyclopentanone 601.99
    2-pentanone 425.78
    anisole 320.83
    cyclopentyl methyl ether 828.94
    gamma-butyrolactone 489.68
    1-methoxy-2-propanol 281.19
    pyridine 410.95
    3-pentanone 393.84
    furfural 328.34
    n-dodecane 182.32
    diethylene glycol 200.61
    diisopropyl ether 512.47
    tert-amyl alcohol 552.46
    acetylacetone 290.37
    n-hexadecane 201.83
    acetophenone 231.43
    methyl propionate 295.92
    isopentyl acetate 985.11
    trichloroethylene 545.33
    n-nonanol 442.47
    cyclohexanol 465.06
    benzyl alcohol 155.82
    2-ethylhexanol 1026.42
    isooctanol 393.24
    dipropyl ether 1447.03
    1,2-dichlorobenzene 338.96
    ethyl lactate 118.96
    propylene carbonate 354.88
    n-methylformamide 86.55
    2-pentanol 371.06
    n-pentane 538.65
    1-propoxy-2-propanol 807.16
    1-methoxy-2-propyl acetate 633.5
    2-(2-methoxypropoxy) propanol 403.84
    mesitylene 255.2
    ε-caprolactone 587.04
    p-cymene 427.7
    epichlorohydrin 504.74
    1,1,1-trichloroethane 604.63
    2-aminoethanol 69.25
    morpholine-4-carbaldehyde 361.73
    sulfolane 453.34
    2,2,4-trimethylpentane 302.53
    2-methyltetrahydrofuran 1135.3
    n-hexyl acetate 683.24
    isooctane 264.55
    2-(2-butoxyethoxy)ethanol 504.77
    sec-butyl acetate 337.57
    tert-butyl acetate 526.3
    decalin 353.58
    glycerin 57.66
    diglyme 692.53
    acrylic acid 86.38
    isopropyl myristate 380.24
    n-butyric acid 356.61
    acetyl acetate 253.07
    di(2-ethylhexyl) phthalate 211.43
    ethyl propionate 347.37
    nitromethane 145.27
    1,2-diethoxyethane 774.7
    benzonitrile 231.94
    trioctyl phosphate 208.07
    1-bromopropane 620.55
    gamma-valerolactone 547.66
    n-decanol 360.52
    triethyl phosphate 330.05
    4-methyl-2-pentanol 308.43
    propionitrile 274.88
    vinylene carbonate 233.91
    1,1,2-trichlorotrifluoroethane 241.82
    DMS 260.85
    cumene 227.93
    2-octanol 335.75
    2-hexanone 395.51
    octyl acetate 412.47
    limonene 805.35
    1,2-dimethoxyethane 465.2
    ethyl orthosilicate 391.0
    tributyl phosphate 261.44
    diacetone alcohol 353.2
    N,N-dimethylaniline 258.19
    acrylonitrile 188.52
    aniline 278.6
    1,3-propanediol 123.84
    bromobenzene 422.29
    dibromomethane 535.69
    1,1,2,2-tetrachloroethane 556.58
    2-methyl-cyclohexyl acetate 600.9
    tetrabutyl urea 290.72
    diisobutyl methanol 598.69
    2-phenylethanol 381.27
    styrene 255.06
    dioctyl adipate 343.06
    dimethyl sulfate 102.83
    ethyl butyrate 779.24
    methyl lactate 96.04
    butyl lactate 280.52
    diethyl carbonate 430.53
    propanediol butyl ether 249.32
    triethyl orthoformate 673.89
    p-tert-butyltoluene 457.29
    methyl 4-tert-butylbenzoate 361.89
    morpholine 701.48
    tert-butylamine 493.81
    n-dodecanol 295.04
    dimethoxymethane 247.15
    ethylene carbonate 240.3
    cyrene 207.86
    2-ethoxyethyl acetate 413.29
    2-ethylhexyl acetate 965.78
    1,2,4-trichlorobenzene 354.93
    4-methylpyridine 442.26
    dibutyl ether 940.81
    2,6-dimethyl-4-heptanol 598.69
    DEF 398.4
    dimethyl isosorbide 656.46
    tetrachloroethylene 391.03
    eugenol 260.79
    triacetin 350.95
    span 80 438.66
    1,4-butanediol 49.81
    1,1-dichloroethane 472.97
    2-methyl-1-pentanol 310.5
    methyl formate 66.0
    2-methyl-1-butanol 390.61
    n-decane 324.37
    butyronitrile 401.72
    3,7-dimethyl-1-octanol 574.88
    1-chlorooctane 536.54
    1-chlorotetradecane 245.2
    n-nonane 362.92
    undecane 234.69
    tert-butylcyclohexane 390.94
    cyclooctane 428.83
    cyclopentanol 365.09
    tetrahydropyran 1055.0
    tert-amyl methyl ether 763.57
    2,5,8-trioxanonane 499.69
    1-hexene 833.33
    2-isopropoxyethanol 209.26
    2,2,2-trifluoroethanol 40.19
    methyl butyrate 380.11

    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