3-Ethyl-3-methylpentane

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  • Identifiers

    CAS number
    1067-08-9

    Molecular formula
    C8H18

    SMILES
    CCC(C)(CC)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fresh 38.71%
    Gassy 33.58%
    Ethereal 33.05%
    Sweet 31.1%
    Camphoreous 29.84%
    Herbal 28.4%
    Woody 26.3%
    Mint 23.94%
    Pine 23.93%
    Citrus 22.71%

     

    Flavor
    Alkane 43.57%
    Gasoline 30.85%
    Woody 24.43%
    Ethereal 24.36%
    Pungent 21.28%
    Rotten 21.02%
    Camphor 20.68%
    Fishy 19.87%
    Bloody 19.65%
    Skunky 19.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    10.78 (weak base)

    Molecular weight
    114.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    113°C

    Flash point

    • 7.03 ˚C est.

  • Synonyms

    • 3-Ethyl-3-methylpentane
    • 1067-08-9
    • 3-METHYL-3-ETHYLPENTANE
    • EINECS 213-923-0
    • DTXSID9074690
    • NSC 73956
    • RefChem:501368
    • DTXCID3033014
    • 213-923-0
    • Pentane, 3-ethyl-3-methyl-
    • MFCD00048630
    • NSC-73956
    • 2,2-diethylbutane
    • NSC73956
    • 3-ethyl-3-methyl pentane
    • 3-ethyl-3-methyl-pentane
    • JV6CM7DX87
    • SCHEMBL134136
    • SCHEMBL497711
    • SCHEMBL498075
    • SCHEMBL1402720
    • SCHEMBL6859255
    • SCHEMBL10782405
    • SCHEMBL12475359
    • GIEZWIDCIFCQPS-UHFFFAOYSA-
    • E0258
    • NS00023422
    • T71569
    • Q2816010
    • InChI=1/C8H18/c1-5-8(4,6-2)7-3/h5-7H2,1-4H3
    • 1067-08-9

  • Applications

    3-Ethyl-3-methylpentane (CAS 1067-08-9) is a branched C8 aliphatic hydrocarbon. Its non-polar solvent character makes it useful as a diluent in coatings, paints, inks, and adhesives, and it can also serve as a process solvent in polymer and plastics manufacturing to dissolve non-polar resins and support cleaning and degreasing steps. It may be employed as a solvent in industrial cleaning formulations and as a component in petrochemical processing streams. In analytical chemistry, it can be used as a reference solvent or calibration medium. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 108.3
    methanol 67.58
    isopropanol 108.4
    water 0.04
    ethyl acetate 327.46
    n-propanol 151.87
    acetone 153.05
    n-butanol 206.51
    acetonitrile 117.89
    DMF 113.45
    toluene 284.65
    isobutanol 120.94
    1,4-dioxane 545.8
    methyl acetate 203.56
    THF 965.76
    2-butanone 275.82
    n-pentanol 146.03
    sec-butanol 172.36
    n-hexane 486.31
    ethylene glycol 7.38
    NMP 302.38
    cyclohexane 583.22
    DMSO 111.65
    n-butyl acetate 1014.51
    n-octanol 201.18
    chloroform 663.92
    n-propyl acetate 273.39
    acetic acid 69.89
    dichloromethane 554.84
    cyclohexanone 536.72
    propylene glycol 18.05
    isopropyl acetate 287.45
    DMAc 173.52
    2-ethoxyethanol 117.96
    isopentanol 198.08
    n-heptane 854.66
    ethyl formate 127.79
    1,2-dichloroethane 388.7
    n-hexanol 479.77
    2-methoxyethanol 131.59
    isobutyl acetate 230.5
    tetrachloromethane 297.27
    n-pentyl acetate 393.47
    transcutol 651.54
    n-heptanol 225.1
    ethylbenzene 204.97
    MIBK 220.61
    2-propoxyethanol 366.78
    tert-butanol 204.17
    MTBE 475.3
    2-butoxyethanol 230.6
    propionic acid 90.0
    o-xylene 228.86
    formic acid 10.03
    diethyl ether 553.37
    m-xylene 205.64
    p-xylene 261.28
    chlorobenzene 305.64
    dimethyl carbonate 50.74
    n-octane 219.43
    formamide 16.5
    cyclopentanone 498.16
    2-pentanone 287.56
    anisole 249.43
    cyclopentyl methyl ether 593.63
    gamma-butyrolactone 399.15
    1-methoxy-2-propanol 139.1
    pyridine 374.33
    3-pentanone 280.89
    furfural 282.51
    n-dodecane 107.89
    diethylene glycol 95.06
    diisopropyl ether 316.19
    tert-amyl alcohol 275.56
    acetylacetone 216.97
    n-hexadecane 121.99
    acetophenone 199.68
    methyl propionate 185.98
    isopentyl acetate 795.91
    trichloroethylene 531.42
    n-nonanol 214.06
    cyclohexanol 269.94
    benzyl alcohol 109.48
    2-ethylhexanol 600.99
    isooctanol 213.73
    dipropyl ether 1161.76
    1,2-dichlorobenzene 309.97
    ethyl lactate 76.48
    propylene carbonate 298.63
    n-methylformamide 50.68
    2-pentanol 191.34
    n-pentane 315.87
    1-propoxy-2-propanol 452.66
    1-methoxy-2-propyl acetate 447.14
    2-(2-methoxypropoxy) propanol 244.42
    mesitylene 183.38
    ε-caprolactone 501.31
    p-cymene 354.13
    epichlorohydrin 446.84
    1,1,1-trichloroethane 557.86
    2-aminoethanol 27.55
    morpholine-4-carbaldehyde 259.52
    sulfolane 394.59
    2,2,4-trimethylpentane 160.88
    2-methyltetrahydrofuran 857.83
    n-hexyl acetate 455.3
    isooctane 133.23
    2-(2-butoxyethoxy)ethanol 306.62
    sec-butyl acetate 262.34
    tert-butyl acetate 366.43
    decalin 260.56
    glycerin 23.26
    diglyme 519.88
    acrylic acid 52.52
    isopropyl myristate 275.83
    n-butyric acid 242.5
    acetyl acetate 188.59
    di(2-ethylhexyl) phthalate 145.99
    ethyl propionate 273.64
    nitromethane 96.32
    1,2-diethoxyethane 705.18
    benzonitrile 194.95
    trioctyl phosphate 139.14
    1-bromopropane 541.34
    gamma-valerolactone 444.81
    n-decanol 172.54
    triethyl phosphate 290.95
    4-methyl-2-pentanol 148.66
    propionitrile 204.83
    vinylene carbonate 196.33
    1,1,2-trichlorotrifluoroethane 184.77
    DMS 194.39
    cumene 173.27
    2-octanol 177.79
    2-hexanone 306.1
    octyl acetate 267.85
    limonene 649.83
    1,2-dimethoxyethane 374.35
    ethyl orthosilicate 343.3
    tributyl phosphate 192.4
    diacetone alcohol 213.09
    N,N-dimethylaniline 191.69
    acrylonitrile 140.58
    aniline 178.37
    1,3-propanediol 59.33
    bromobenzene 384.9
    dibromomethane 490.85
    1,1,2,2-tetrachloroethane 532.54
    2-methyl-cyclohexyl acetate 544.53
    tetrabutyl urea 211.95
    diisobutyl methanol 389.24
    2-phenylethanol 253.29
    styrene 219.02
    dioctyl adipate 271.15
    dimethyl sulfate 72.47
    ethyl butyrate 729.16
    methyl lactate 52.27
    butyl lactate 190.45
    diethyl carbonate 400.03
    propanediol butyl ether 120.62
    triethyl orthoformate 606.04
    p-tert-butyltoluene 360.38
    methyl 4-tert-butylbenzoate 262.22
    morpholine 479.96
    tert-butylamine 241.25
    n-dodecanol 148.08
    dimethoxymethane 154.0
    ethylene carbonate 198.77
    cyrene 148.98
    2-ethoxyethyl acetate 333.02
    2-ethylhexyl acetate 838.85
    1,2,4-trichlorobenzene 324.17
    4-methylpyridine 357.37
    dibutyl ether 702.68
    2,6-dimethyl-4-heptanol 389.24
    DEF 277.55
    dimethyl isosorbide 542.68
    tetrachloroethylene 377.99
    eugenol 180.54
    triacetin 250.14
    span 80 253.87
    1,4-butanediol 22.88
    1,1-dichloroethane 390.2
    2-methyl-1-pentanol 178.25
    methyl formate 41.49
    2-methyl-1-butanol 198.64
    n-decane 201.75
    butyronitrile 278.04
    3,7-dimethyl-1-octanol 292.7
    1-chlorooctane 340.35
    1-chlorotetradecane 156.28
    n-nonane 223.42
    undecane 138.97
    tert-butylcyclohexane 247.48
    cyclooctane 305.44
    cyclopentanol 214.78
    tetrahydropyran 848.75
    tert-amyl methyl ether 428.94
    2,5,8-trioxanonane 379.68
    1-hexene 588.75
    2-isopropoxyethanol 122.2
    2,2,2-trifluoroethanol 21.3
    methyl butyrate 311.62

    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