3-Ethylpentane

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  • Identifiers

    CAS number
    617-78-7

    Molecular formula
    C7H16

    SMILES
    CCC(CC)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 48.9%
    Ethereal 43.11%
    Gassy 36.86%
    Fresh 33.32%
    Solvent 29.78%
    Musty 28.19%
    Fruity 28.14%
    Oily 25.35%
    Herbal 24.84%
    Fermented 24.67%

     

    Flavor
    Alkane 44.78%
    Gasoline 30.02%
    Citrus 25.62%
    Ethereal 25.36%
    Fresh 24.95%
    Fishy 23.48%
    Sweet 21.61%
    Rotten 20.88%
    Leathery 20.24%
    Glue 20.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    10.62 (weak base)

    Molecular weight
    100.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    90°C

    Flash point

    • -7.88 ˚C est.

  • Synonyms

    • 3-ETHYLPENTANE
    • 617-78-7
    • Pentane, 3-ethyl-
    • Triethylmethane
    • 3-ethyl-pentane
    • KN826QW56K
    • EINECS 210-529-0
    • NSC 74151
    • NSC-74151
    • UNII-KN826QW56K
    • DTXSID8073211
    • CHEBI:165737
    • Pentane, 3-ethyl-; 3-Ethylpentane; NSC 74151
    • 3-ethylpentan
    • 3-etilpentano
    • Pentane, 3ethyl
    • MFCD00027083
    • Pentane, 3-ethyl-(8CI)
    • DTXCID3043106
    • Pentane, 3-ethyl-(8CI)(9CI)
    • NSC74151
    • LMFA11000702
    • LS-13370
    • E0046
    • NS00034785
    • D90425
    • Q223078
    • 210-529-0

  • Applications

    3-Ethylpentane (CAS 617-78-7) is a branched C7 aliphatic hydrocarbon primarily used as a non-polar solvent in a range of industrial formulations. In practice it is often employed as a solvent component in coatings, inks, and adhesives; as a cleaning and degreasing solvent in industrial maintenance; as a blending component in gasoline to adjust volatility and octane characteristics; as a processing solvent in polymer and plastics manufacturing; and as a reference or carrier solvent in analytical workflows such as chromatography. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 378.95
    methanol 210.92
    isopropanol 356.69
    water 0.02
    ethyl acetate 937.27
    n-propanol 477.72
    acetone 626.73
    n-butanol 663.6
    acetonitrile 440.75
    DMF 285.44
    toluene 696.07
    isobutanol 386.15
    1,4-dioxane 1462.6
    methyl acetate 585.0
    THF 2955.07
    2-butanone 862.42
    n-pentanol 423.38
    sec-butanol 510.88
    n-hexane 1412.19
    ethylene glycol 17.57
    NMP 767.24
    cyclohexane 1884.51
    DMSO 417.88
    n-butyl acetate 3451.57
    n-octanol 418.02
    chloroform 2068.79
    n-propyl acetate 845.99
    acetic acid 233.96
    dichloromethane 1974.78
    cyclohexanone 1760.95
    propylene glycol 42.06
    isopropyl acetate 688.52
    DMAc 294.64
    2-ethoxyethanol 292.0
    isopentanol 615.79
    n-heptane 2473.17
    ethyl formate 426.24
    1,2-dichloroethane 1343.96
    n-hexanol 1389.62
    2-methoxyethanol 384.72
    isobutyl acetate 538.2
    tetrachloromethane 842.49
    n-pentyl acetate 977.24
    transcutol 1374.96
    n-heptanol 489.34
    ethylbenzene 399.86
    MIBK 522.76
    2-propoxyethanol 993.84
    tert-butanol 589.67
    MTBE 1259.95
    2-butoxyethanol 507.72
    propionic acid 284.5
    o-xylene 401.05
    formic acid 24.6
    diethyl ether 1853.84
    m-xylene 398.84
    p-xylene 480.96
    chlorobenzene 884.78
    dimethyl carbonate 96.54
    n-octane 530.0
    formamide 40.51
    cyclopentanone 1534.97
    2-pentanone 908.0
    anisole 479.02
    cyclopentyl methyl ether 1643.13
    gamma-butyrolactone 1235.58
    1-methoxy-2-propanol 333.85
    pyridine 1183.3
    3-pentanone 752.69
    furfural 806.58
    n-dodecane 220.85
    diethylene glycol 240.68
    diisopropyl ether 699.26
    tert-amyl alcohol 709.18
    acetylacetone 536.31
    n-hexadecane 256.14
    acetophenone 372.0
    methyl propionate 447.55
    isopentyl acetate 2295.9
    trichloroethylene 1685.4
    n-nonanol 414.28
    cyclohexanol 878.17
    benzyl alcohol 230.96
    2-ethylhexanol 1611.16
    isooctanol 450.19
    dipropyl ether 3374.92
    1,2-dichlorobenzene 758.6
    ethyl lactate 157.73
    propylene carbonate 809.41
    n-methylformamide 151.24
    2-pentanol 566.22
    n-pentane 980.0
    1-propoxy-2-propanol 1294.67
    1-methoxy-2-propyl acetate 1065.41
    2-(2-methoxypropoxy) propanol 371.38
    mesitylene 309.78
    ε-caprolactone 1398.83
    p-cymene 699.71
    epichlorohydrin 1373.03
    1,1,1-trichloroethane 1646.03
    2-aminoethanol 66.92
    morpholine-4-carbaldehyde 601.17
    sulfolane 1182.17
    2,2,4-trimethylpentane 340.3
    2-methyltetrahydrofuran 2845.85
    n-hexyl acetate 981.19
    isooctane 278.41
    2-(2-butoxyethoxy)ethanol 555.22
    sec-butyl acetate 608.24
    tert-butyl acetate 801.47
    decalin 564.83
    glycerin 52.21
    diglyme 1061.09
    acrylic acid 152.12
    isopropyl myristate 499.6
    n-butyric acid 755.83
    acetyl acetate 456.94
    di(2-ethylhexyl) phthalate 248.14
    ethyl propionate 686.61
    nitromethane 329.73
    1,2-diethoxyethane 1928.74
    benzonitrile 532.57
    trioctyl phosphate 246.26
    1-bromopropane 1880.14
    gamma-valerolactone 1260.48
    n-decanol 316.01
    triethyl phosphate 517.94
    4-methyl-2-pentanol 336.84
    propionitrile 650.81
    vinylene carbonate 522.59
    1,1,2-trichlorotrifluoroethane 476.41
    DMS 371.7
    cumene 286.89
    2-octanol 395.22
    2-hexanone 904.44
    octyl acetate 506.42
    limonene 1575.63
    1,2-dimethoxyethane 1003.71
    ethyl orthosilicate 609.53
    tributyl phosphate 362.9
    diacetone alcohol 453.87
    N,N-dimethylaniline 292.68
    acrylonitrile 440.34
    aniline 473.92
    1,3-propanediol 171.65
    bromobenzene 1068.48
    dibromomethane 1859.09
    1,1,2,2-tetrachloroethane 1523.27
    2-methyl-cyclohexyl acetate 1063.66
    tetrabutyl urea 413.56
    diisobutyl methanol 913.73
    2-phenylethanol 552.01
    styrene 497.25
    dioctyl adipate 487.72
    dimethyl sulfate 125.77
    ethyl butyrate 2056.08
    methyl lactate 96.86
    butyl lactate 416.25
    diethyl carbonate 914.63
    propanediol butyl ether 238.81
    triethyl orthoformate 1354.17
    p-tert-butyltoluene 679.51
    methyl 4-tert-butylbenzoate 372.32
    morpholine 1492.51
    tert-butylamine 642.08
    n-dodecanol 267.0
    dimethoxymethane 371.11
    ethylene carbonate 555.0
    cyrene 240.5
    2-ethoxyethyl acetate 729.96
    2-ethylhexyl acetate 2310.3
    1,2,4-trichlorobenzene 726.2
    4-methylpyridine 1077.77
    dibutyl ether 1822.31
    2,6-dimethyl-4-heptanol 913.73
    DEF 774.58
    dimethyl isosorbide 933.67
    tetrachloroethylene 1103.39
    eugenol 301.39
    triacetin 424.59
    span 80 475.76
    1,4-butanediol 56.45
    1,1-dichloroethane 1294.7
    2-methyl-1-pentanol 469.9
    methyl formate 122.61
    2-methyl-1-butanol 582.44
    n-decane 428.09
    butyronitrile 975.15
    3,7-dimethyl-1-octanol 640.19
    1-chlorooctane 775.34
    1-chlorotetradecane 312.28
    n-nonane 503.32
    undecane 290.6
    tert-butylcyclohexane 495.05
    cyclooctane 731.42
    cyclopentanol 711.86
    tetrahydropyran 2869.96
    tert-amyl methyl ether 1020.7
    2,5,8-trioxanonane 630.39
    1-hexene 1901.35
    2-isopropoxyethanol 268.65
    2,2,2-trifluoroethanol 50.49
    methyl butyrate 865.21

    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