3-Ethyl-2,2-dimethylpentane

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  • Identifiers

    CAS number
    16747-32-3

    Molecular formula
    C9H20

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 44.62%
    Camphoreous 36.98%
    Fresh 31.87%
    Herbal 28.57%
    Pine 28.4%
    Dry 26.6%
    Oily 26.26%
    Mint 25.78%
    Fatty 24.66%
    Green 24.33%

     

    Flavor
    Alkane 29.22%
    Pungent 24.17%
    Gasoline 23.66%
    Woody 21.6%
    Camphor 20.8%
    Rotten 20.24%
    Yeasty 19.99%
    Terpenic 19.84%
    Catty 19.76%
    Bloody 19.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    10.66 (weak base)

    Molecular weight
    128.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    129°C

    Flash point

    • 17.42 ˚C est.

  • Synonyms

    • 3-Ethyl-2,2-dimethylpentane
    • 16747-32-3
    • 2,2-DIMETHYL-3-ETHYLPENTANE
    • EINECS 240-811-9
    • DTXSID00168290
    • RefChem:93811
    • DTXCID7090781
    • 240-811-9
    • CLZCPQKGOAXOJT-UHFFFAOYSA-N
    • InChI=1/C9H20/c1-6-8(7-2)9(3,4)5/h8H,6-7H2,1-5H
    • Pentane, 3-ethyl-2,2-dimethyl-
    • SCHEMBL82775
    • SCHEMBL82776
    • SCHEMBL396944
    • 3-Ethyl-2,2-dimethyl-pentan
    • SCHEMBL4621345
    • SCHEMBL4654340
    • SCHEMBL10931141
    • SCHEMBL11232965
    • LMFA11000699
    • AKOS006272965
    • NS00025500
    • Q5651929
    • 16747-32-3

  • Applications

    3-Ethyl-2,2-dimethylpentane, CAS 16747-32-3, is a branched C9 alkane primarily used as a non-polar solvent and diluent in industrial formulations, notably coatings, inks, and adhesives; it is also employed in industrial cleaning and degreasing products; it may serve as a component in fuel blends or hydrocarbon gasoline formulations; it is used as a processing solvent and medium in polymer and plastics manufacturing; and as a solvent for analytical and laboratory applications involving non-polar separations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 426.05
    methanol 296.6
    isopropanol 405.94
    water 0.11
    ethyl acetate 943.08
    n-propanol 496.62
    acetone 581.6
    n-butanol 720.03
    acetonitrile 370.45
    DMF 379.61
    toluene 887.06
    isobutanol 495.87
    1,4-dioxane 1492.11
    methyl acetate 623.67
    THF 3032.7
    2-butanone 808.21
    n-pentanol 444.32
    sec-butanol 589.24
    n-hexane 2025.99
    ethylene glycol 27.19
    NMP 921.31
    cyclohexane 2294.12
    DMSO 324.03
    n-butyl acetate 2565.06
    n-octanol 781.27
    chloroform 1462.96
    n-propyl acetate 694.2
    acetic acid 236.94
    dichloromethane 1115.5
    cyclohexanone 1743.56
    propylene glycol 63.45
    isopropyl acetate 773.14
    DMAc 471.97
    2-ethoxyethanol 279.57
    isopentanol 725.83
    n-heptane 3140.68
    ethyl formate 369.33
    1,2-dichloroethane 888.58
    n-hexanol 1951.27
    2-methoxyethanol 398.01
    isobutyl acetate 607.83
    tetrachloromethane 622.69
    n-pentyl acetate 987.41
    transcutol 1245.15
    n-heptanol 807.48
    ethylbenzene 536.39
    MIBK 681.84
    2-propoxyethanol 1171.98
    tert-butanol 773.11
    MTBE 1676.63
    2-butoxyethanol 620.63
    propionic acid 293.64
    o-xylene 633.55
    formic acid 34.94
    diethyl ether 1712.49
    m-xylene 656.44
    p-xylene 703.27
    chlorobenzene 789.18
    dimethyl carbonate 157.61
    n-octane 779.9
    formamide 43.62
    cyclopentanone 1490.67
    2-pentanone 890.54
    anisole 550.35
    cyclopentyl methyl ether 2108.09
    gamma-butyrolactone 1205.89
    1-methoxy-2-propanol 399.54
    pyridine 877.83
    3-pentanone 837.23
    furfural 663.71
    n-dodecane 349.93
    diethylene glycol 303.62
    diisopropyl ether 1061.52
    tert-amyl alcohol 909.01
    acetylacetone 581.39
    n-hexadecane 399.56
    acetophenone 427.02
    methyl propionate 594.53
    isopentyl acetate 2181.23
    trichloroethylene 1131.71
    n-nonanol 739.43
    cyclohexanol 1147.34
    benzyl alcohol 253.54
    2-ethylhexanol 2170.08
    isooctanol 707.34
    dipropyl ether 2989.18
    1,2-dichlorobenzene 699.65
    ethyl lactate 182.66
    propylene carbonate 837.08
    n-methylformamide 170.77
    2-pentanol 664.41
    n-pentane 1227.02
    1-propoxy-2-propanol 1407.22
    1-methoxy-2-propyl acetate 1216.16
    2-(2-methoxypropoxy) propanol 525.41
    mesitylene 556.24
    ε-caprolactone 1408.39
    p-cymene 909.39
    epichlorohydrin 1127.17
    1,1,1-trichloroethane 1290.17
    2-aminoethanol 91.32
    morpholine-4-carbaldehyde 699.52
    sulfolane 1208.57
    2,2,4-trimethylpentane 656.55
    2-methyltetrahydrofuran 2833.39
    n-hexyl acetate 1371.0
    isooctane 539.66
    2-(2-butoxyethoxy)ethanol 670.69
    sec-butyl acetate 629.23
    tert-butyl acetate 1031.02
    decalin 884.04
    glycerin 76.34
    diglyme 1083.05
    acrylic acid 156.98
    isopropyl myristate 710.17
    n-butyric acid 685.39
    acetyl acetate 488.94
    di(2-ethylhexyl) phthalate 351.18
    ethyl propionate 674.02
    nitromethane 292.8
    1,2-diethoxyethane 1382.84
    benzonitrile 457.04
    trioctyl phosphate 392.86
    1-bromopropane 1365.01
    gamma-valerolactone 1225.8
    n-decanol 564.41
    triethyl phosphate 541.4
    4-methyl-2-pentanol 500.99
    propionitrile 541.29
    vinylene carbonate 532.54
    1,1,2-trichlorotrifluoroethane 456.37
    DMS 516.85
    cumene 459.6
    2-octanol 637.75
    2-hexanone 839.95
    octyl acetate 755.5
    limonene 1939.22
    1,2-dimethoxyethane 852.18
    ethyl orthosilicate 650.34
    tributyl phosphate 485.58
    diacetone alcohol 608.34
    N,N-dimethylaniline 446.85
    acrylonitrile 364.94
    aniline 509.9
    1,3-propanediol 193.28
    bromobenzene 990.08
    dibromomethane 1172.94
    1,1,2,2-tetrachloroethane 1106.9
    2-methyl-cyclohexyl acetate 1209.41
    tetrabutyl urea 564.38
    diisobutyl methanol 1153.88
    2-phenylethanol 652.69
    styrene 545.76
    dioctyl adipate 610.51
    dimethyl sulfate 199.42
    ethyl butyrate 1479.31
    methyl lactate 145.26
    butyl lactate 498.39
    diethyl carbonate 752.89
    propanediol butyl ether 356.66
    triethyl orthoformate 1193.35
    p-tert-butyltoluene 941.64
    methyl 4-tert-butylbenzoate 601.22
    morpholine 1421.45
    tert-butylamine 898.58
    n-dodecanol 457.98
    dimethoxymethane 475.94
    ethylene carbonate 568.74
    cyrene 330.71
    2-ethoxyethyl acetate 761.99
    2-ethylhexyl acetate 2226.36
    1,2,4-trichlorobenzene 711.83
    4-methylpyridine 1002.92
    dibutyl ether 2006.19
    2,6-dimethyl-4-heptanol 1153.88
    DEF 819.39
    dimethyl isosorbide 1048.06
    tetrachloroethylene 822.01
    eugenol 395.33
    triacetin 569.88
    span 80 608.1
    1,4-butanediol 72.77
    1,1-dichloroethane 950.55
    2-methyl-1-pentanol 546.03
    methyl formate 152.23
    2-methyl-1-butanol 717.38
    n-decane 691.26
    butyronitrile 790.05
    3,7-dimethyl-1-octanol 977.41
    1-chlorooctane 1130.12
    1-chlorotetradecane 459.06
    n-nonane 827.75
    undecane 463.63
    tert-butylcyclohexane 950.92
    cyclooctane 1173.9
    cyclopentanol 861.82
    tetrahydropyran 2681.98
    tert-amyl methyl ether 1447.28
    2,5,8-trioxanonane 677.01
    1-hexene 1898.57
    2-isopropoxyethanol 310.92
    2,2,2-trifluoroethanol 66.95
    methyl butyrate 777.92

    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