6-Methyl-1-heptene

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  • Identifiers

    CAS number
    11071-47-9

    Molecular formula
    C8H16

    SMILES
    CC(C)CCCC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 57.28%
    Citrus 50.07%
    Gassy 44.54%
    Fresh 41.08%
    Green 33.75%
    Woody 31.15%
    Sweet 29.97%
    Terpenic 29.02%
    Spicy 28.65%
    Lemon 27.87%

     

    Flavor
    Citrus 32.5%
    Fresh 21.23%
    Fishy 20.91%
    Delicate 20.78%
    Glue 20.75%
    Leathery 20.13%
    Bloody 19.97%
    Skunky 19.72%
    Low 19.67%
    Terpentine 19.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.79 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    112°C

    Flash point

    • 8.08 ˚C est.
    • less than 20 °F (NFPA, 2010)

  • Synonyms

    • 6-METHYL-1-HEPTENE
    • Isooctene
    • 6-methylhept-1-ene
    • 1-Heptene, 6-methyl-
    • 11071-47-9
    • 5026-76-6
    • Isooctenes
    • iso-octene
    • AI3-37712
    • EINECS 234-294-9
    • UN1216
    • EC 234-294-9
    • DTXSID30891923
    • AKOS006275654
    • LS-13499
    • DB-051747
    • Isooctenes [UN1216] [Flammable liquid]
    • NS00001781
    • EN300-7208907

  • Applications

    6-Methyl-1-heptene (CAS 11071-47-9) is used as an organic synthesis feedstock and building block; it can serve as a monomer or comonomer in olefin polymerization to produce branched polyolefins and modify processability and mechanical properties of plastics; it can undergo hydroformylation followed by oxidation to give branched aldehydes, acids or alcohols used in lubricants, plasticizers and surfactants; it serves as a feedstock for alkylation to make alkylbenzenes and surfactants for cleaning products; it is a precursor for specialty resins in coatings and inks; and it may be considered a versatile input for further chemical transformations in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 542.73
    methanol 214.9
    isopropanol 552.17
    water 0.02
    ethyl acetate 574.03
    n-propanol 534.26
    acetone 458.84
    n-butanol 757.38
    acetonitrile 235.51
    DMF 217.28
    toluene 421.56
    isobutanol 426.89
    1,4-dioxane 1005.21
    methyl acetate 325.52
    THF 2334.69
    2-butanone 539.92
    n-pentanol 491.41
    sec-butanol 612.83
    n-hexane 1018.23
    ethylene glycol 27.82
    NMP 270.9
    cyclohexane 1169.88
    DMSO 354.56
    n-butyl acetate 1837.13
    n-octanol 490.86
    chloroform 946.35
    n-propyl acetate 426.26
    acetic acid 178.15
    dichloromethane 794.75
    cyclohexanone 856.96
    propylene glycol 85.81
    isopropyl acetate 408.06
    DMAc 177.74
    2-ethoxyethanol 293.44
    isopentanol 706.18
    n-heptane 2368.44
    ethyl formate 226.01
    1,2-dichloroethane 560.21
    n-hexanol 1954.59
    2-methoxyethanol 395.81
    isobutyl acetate 306.31
    tetrachloromethane 262.79
    n-pentyl acetate 465.99
    transcutol 1152.17
    n-heptanol 540.32
    ethylbenzene 247.09
    MIBK 432.73
    2-propoxyethanol 1124.91
    tert-butanol 882.02
    MTBE 1044.52
    2-butoxyethanol 448.95
    propionic acid 194.34
    o-xylene 237.12
    formic acid 16.99
    diethyl ether 1198.66
    m-xylene 298.24
    p-xylene 274.18
    chlorobenzene 311.82
    dimethyl carbonate 56.88
    n-octane 395.87
    formamide 23.96
    cyclopentanone 713.57
    2-pentanone 620.95
    anisole 260.09
    cyclopentyl methyl ether 1042.15
    gamma-butyrolactone 532.06
    1-methoxy-2-propanol 437.18
    pyridine 630.77
    3-pentanone 368.94
    furfural 318.94
    n-dodecane 168.96
    diethylene glycol 276.71
    diisopropyl ether 485.5
    tert-amyl alcohol 694.37
    acetylacetone 353.79
    n-hexadecane 191.6
    acetophenone 176.8
    methyl propionate 269.3
    isopentyl acetate 1291.78
    trichloroethylene 635.98
    n-nonanol 441.47
    cyclohexanol 711.18
    benzyl alcohol 160.05
    2-ethylhexanol 1594.51
    isooctanol 423.93
    dipropyl ether 2392.64
    1,2-dichlorobenzene 235.27
    ethyl lactate 107.35
    propylene carbonate 351.24
    n-methylformamide 92.08
    2-pentanol 642.71
    n-pentane 812.91
    1-propoxy-2-propanol 1305.68
    1-methoxy-2-propyl acetate 737.77
    2-(2-methoxypropoxy) propanol 348.33
    mesitylene 214.06
    ε-caprolactone 673.6
    p-cymene 434.27
    epichlorohydrin 726.05
    1,1,1-trichloroethane 640.39
    2-aminoethanol 94.89
    morpholine-4-carbaldehyde 338.24
    sulfolane 472.42
    2,2,4-trimethylpentane 255.24
    2-methyltetrahydrofuran 1900.53
    n-hexyl acetate 616.26
    isooctane 267.44
    2-(2-butoxyethoxy)ethanol 501.24
    sec-butyl acetate 309.79
    tert-butyl acetate 465.06
    decalin 324.06
    glycerin 77.12
    diglyme 843.17
    acrylic acid 93.05
    isopropyl myristate 297.37
    n-butyric acid 550.97
    acetyl acetate 228.28
    di(2-ethylhexyl) phthalate 168.29
    ethyl propionate 313.72
    nitromethane 186.28
    1,2-diethoxyethane 1089.99
    benzonitrile 257.1
    trioctyl phosphate 171.71
    1-bromopropane 1045.39
    gamma-valerolactone 649.67
    n-decanol 330.58
    triethyl phosphate 254.09
    4-methyl-2-pentanol 404.23
    propionitrile 336.56
    vinylene carbonate 208.5
    1,1,2-trichlorotrifluoroethane 257.6
    DMS 176.86
    cumene 175.13
    2-octanol 360.43
    2-hexanone 576.21
    octyl acetate 329.63
    limonene 957.91
    1,2-dimethoxyethane 764.0
    ethyl orthosilicate 302.77
    tributyl phosphate 210.73
    diacetone alcohol 391.34
    N,N-dimethylaniline 177.09
    acrylonitrile 209.42
    aniline 287.52
    1,3-propanediol 205.54
    bromobenzene 380.54
    dibromomethane 841.95
    1,1,2,2-tetrachloroethane 597.07
    2-methyl-cyclohexyl acetate 548.39
    tetrabutyl urea 248.25
    diisobutyl methanol 767.4
    2-phenylethanol 399.71
    styrene 263.98
    dioctyl adipate 316.99
    dimethyl sulfate 63.33
    ethyl butyrate 990.67
    methyl lactate 83.19
    butyl lactate 258.06
    diethyl carbonate 426.57
    propanediol butyl ether 265.91
    triethyl orthoformate 686.89
    p-tert-butyltoluene 446.43
    methyl 4-tert-butylbenzoate 219.99
    morpholine 1193.12
    tert-butylamine 873.94
    n-dodecanol 262.94
    dimethoxymethane 319.2
    ethylene carbonate 234.38
    cyrene 171.29
    2-ethoxyethyl acetate 366.52
    2-ethylhexyl acetate 1135.34
    1,2,4-trichlorobenzene 242.28
    4-methylpyridine 578.68
    dibutyl ether 1239.07
    2,6-dimethyl-4-heptanol 767.4
    DEF 418.67
    dimethyl isosorbide 560.85
    tetrachloroethylene 379.6
    eugenol 187.27
    triacetin 258.74
    span 80 434.87
    1,4-butanediol 71.07
    1,1-dichloroethane 662.82
    2-methyl-1-pentanol 456.75
    methyl formate 63.93
    2-methyl-1-butanol 578.8
    n-decane 345.4
    butyronitrile 687.22
    3,7-dimethyl-1-octanol 558.4
    1-chlorooctane 551.5
    1-chlorotetradecane 203.48
    n-nonane 405.88
    undecane 230.54
    tert-butylcyclohexane 312.52
    cyclooctane 498.27
    cyclopentanol 584.69
    tetrahydropyran 2103.85
    tert-amyl methyl ether 737.52
    2,5,8-trioxanonane 517.38
    1-hexene 1371.02
    2-isopropoxyethanol 267.17
    2,2,2-trifluoroethanol 26.28
    methyl butyrate 429.49

    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