2-Methylheptane

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  • Identifiers

    CAS number
    592-27-8

    Molecular formula
    C8H18

    SMILES
    CCCCCC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 58.53%
    Gassy 45.75%
    Ethereal 40.14%
    Fresh 33.62%
    Herbal 25.48%
    Solvent 24.16%
    Citrus 23.73%
    Musty 22.13%
    Oily 20.29%
    Fishy 19.86%

     

    Flavor
    Alkane 48.66%
    Gasoline 33.78%
    Fishy 26.69%
    Ethereal 23.71%
    Ammonia 23.43%
    Ammoniacal 22.88%
    Glue 21.28%
    Delicate 21.26%
    Leathery 21.07%
    Rotten 21.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.38 (weak base)

    Molecular weight
    114.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -109 °C

    Boiling point

    • 116 °C

    Flash point

    • 10.53 ˚C est.
    • 4.4 °C

    Solubility expt.

    • Solubility in water: none

  • Synonyms

    • 2-METHYLHEPTANE
    • 592-27-8
    • Heptane, 2-methyl-
    • 2-methyl-heptane
    • Methylheptane
    • YU6SU8CCVB
    • EINECS 209-747-9
    • NSC 24844
    • NSC-24844
    • 28777-67-5
    • DTXSID2060460
    • Hexane, dimethyl-
    • DIMETHYLHEXANE
    • MFCD00009518
    • Heptane, 2methyl
    • NSC24844
    • UNII-YU6SU8CCVB
    • 2-Methylheptane, 98%
    • DTXCID7042566
    • CHEBI:88849
    • (CH3)2CH(CH2)4CH3
    • LMFA11000604
    • AKOS015841664
    • LS-13531
    • DB-053342
    • M0519
    • NS00022455
    • D91346
    • Q2493733
    • 209-747-9

  • Applications

    2-Methylheptane (CAS 592-27-8) is a non-polar aliphatic hydrocarbon used primarily as an industrial solvent, particularly in coatings, inks, and adhesives. It is also employed for cleaning and degreasing in metal processing, and as a diluent or processing solvent in plastics and rubber manufacturing. Additionally, 2-Methylheptane may serve as a blending component in hydrocarbon fuels such as gasoline and industrial fuels, and can act as an input feedstock for refinery or petrochemical processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 874.82
    methanol 323.74
    isopropanol 998.84
    water 0.02
    ethyl acetate 1173.12
    n-propanol 929.6
    acetone 941.48
    n-butanol 1419.27
    acetonitrile 503.28
    DMF 404.34
    toluene 949.2
    isobutanol 809.69
    1,4-dioxane 1966.07
    methyl acetate 638.13
    THF 4497.47
    2-butanone 1060.49
    n-pentanol 928.06
    sec-butanol 1172.73
    n-hexane 2782.18
    ethylene glycol 40.76
    NMP 553.47
    cyclohexane 3090.12
    DMSO 614.56
    n-butyl acetate 4029.94
    n-octanol 992.72
    chloroform 2201.99
    n-propyl acetate 959.22
    acetic acid 303.23
    dichloromethane 1720.05
    cyclohexanone 1931.3
    propylene glycol 128.41
    isopropyl acetate 912.29
    DMAc 347.44
    2-ethoxyethanol 484.14
    isopentanol 1337.52
    n-heptane 6281.67
    ethyl formate 462.88
    1,2-dichloroethane 1234.64
    n-hexanol 3547.9
    2-methoxyethanol 612.31
    isobutyl acetate 695.33
    tetrachloromethane 615.54
    n-pentyl acetate 1067.78
    transcutol 1847.45
    n-heptanol 1077.3
    ethylbenzene 559.55
    MIBK 912.22
    2-propoxyethanol 1922.27
    tert-butanol 1642.23
    MTBE 2197.9
    2-butoxyethanol 839.51
    propionic acid 363.91
    o-xylene 512.29
    formic acid 23.86
    diethyl ether 2452.78
    m-xylene 621.95
    p-xylene 654.63
    chlorobenzene 728.76
    dimethyl carbonate 101.83
    n-octane 1060.69
    formamide 35.77
    cyclopentanone 1557.0
    2-pentanone 1318.65
    anisole 553.37
    cyclopentyl methyl ether 2215.2
    gamma-butyrolactone 1080.53
    1-methoxy-2-propanol 725.61
    pyridine 1355.23
    3-pentanone 783.9
    furfural 643.69
    n-dodecane 461.1
    diethylene glycol 410.68
    diisopropyl ether 1077.0
    tert-amyl alcohol 1448.03
    acetylacetone 739.28
    n-hexadecane 522.72
    acetophenone 369.32
    methyl propionate 533.99
    isopentyl acetate 2943.06
    trichloroethylene 1385.18
    n-nonanol 904.41
    cyclohexanol 1460.66
    benzyl alcohol 301.34
    2-ethylhexanol 3435.31
    isooctanol 905.82
    dipropyl ether 5679.68
    1,2-dichlorobenzene 535.8
    ethyl lactate 200.0
    propylene carbonate 736.39
    n-methylformamide 162.25
    2-pentanol 1230.28
    n-pentane 1868.84
    1-propoxy-2-propanol 2501.35
    1-methoxy-2-propyl acetate 1421.96
    2-(2-methoxypropoxy) propanol 584.79
    mesitylene 451.38
    ε-caprolactone 1426.85
    p-cymene 1015.14
    epichlorohydrin 1443.57
    1,1,1-trichloroethane 1517.83
    2-aminoethanol 147.04
    morpholine-4-carbaldehyde 618.67
    sulfolane 977.44
    2,2,4-trimethylpentane 590.68
    2-methyltetrahydrofuran 3806.5
    n-hexyl acetate 1348.51
    isooctane 587.93
    2-(2-butoxyethoxy)ethanol 898.03
    sec-butyl acetate 707.65
    tert-butyl acetate 1012.54
    decalin 841.66
    glycerin 112.39
    diglyme 1549.85
    acrylic acid 175.04
    isopropyl myristate 685.63
    n-butyric acid 1094.71
    acetyl acetate 476.0
    di(2-ethylhexyl) phthalate 321.89
    ethyl propionate 708.99
    nitromethane 341.43
    1,2-diethoxyethane 2188.88
    benzonitrile 588.35
    trioctyl phosphate 351.28
    1-bromopropane 2423.15
    gamma-valerolactone 1305.43
    n-decanol 686.58
    triethyl phosphate 546.24
    4-methyl-2-pentanol 781.83
    propionitrile 771.81
    vinylene carbonate 434.36
    1,1,2-trichlorotrifluoroethane 514.58
    DMS 333.68
    cumene 395.82
    2-octanol 801.84
    2-hexanone 1301.15
    octyl acetate 718.07
    limonene 2305.17
    1,2-dimethoxyethane 1564.73
    ethyl orthosilicate 671.35
    tributyl phosphate 437.86
    diacetone alcohol 768.2
    N,N-dimethylaniline 368.89
    acrylonitrile 465.81
    aniline 595.19
    1,3-propanediol 333.52
    bromobenzene 917.75
    dibromomethane 1892.19
    1,1,2,2-tetrachloroethane 1389.48
    2-methyl-cyclohexyl acetate 1194.01
    tetrabutyl urea 526.29
    diisobutyl methanol 1740.79
    2-phenylethanol 776.51
    styrene 606.61
    dioctyl adipate 655.22
    dimethyl sulfate 112.27
    ethyl butyrate 2274.95
    methyl lactate 144.8
    butyl lactate 537.56
    diethyl carbonate 932.96
    propanediol butyl ether 453.69
    triethyl orthoformate 1567.94
    p-tert-butyltoluene 1015.98
    methyl 4-tert-butylbenzoate 429.36
    morpholine 2323.25
    tert-butylamine 1795.35
    n-dodecanol 571.36
    dimethoxymethane 576.21
    ethylene carbonate 506.49
    cyrene 278.74
    2-ethoxyethyl acetate 739.61
    2-ethylhexyl acetate 2592.89
    1,2,4-trichlorobenzene 547.2
    4-methylpyridine 1281.45
    dibutyl ether 2956.42
    2,6-dimethyl-4-heptanol 1740.79
    DEF 896.57
    dimethyl isosorbide 976.46
    tetrachloroethylene 845.48
    eugenol 341.92
    triacetin 478.99
    span 80 814.49
    1,4-butanediol 115.76
    1,1-dichloroethane 1500.48
    2-methyl-1-pentanol 890.65
    methyl formate 117.84
    2-methyl-1-butanol 1085.32
    n-decane 868.75
    butyronitrile 1448.03
    3,7-dimethyl-1-octanol 1237.98
    1-chlorooctane 1358.68
    1-chlorotetradecane 512.21
    n-nonane 1050.51
    undecane 610.02
    tert-butylcyclohexane 793.5
    cyclooctane 1278.1
    cyclopentanol 1211.68
    tetrahydropyran 4402.47
    tert-amyl methyl ether 1550.15
    2,5,8-trioxanonane 893.39
    1-hexene 3368.06
    2-isopropoxyethanol 487.53
    2,2,2-trifluoroethanol 46.5
    methyl butyrate 993.98

    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