3-Octene

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  • Identifiers

    CAS number
    592-98-3

    Molecular formula
    C8H16

    SMILES
    CCCCC=CCC

    Safety labels

  • Odor profile

    Fragrance
    Gassy 65.76%
    Citrus 27.8%
    Green 26.22%
    Sweet 24.33%
    Fresh 23.54%
    Ethereal 20.86%
    Fishy 20.09%
    Herbal 18.29%
    Vegetable 15.67%
    Fruity 14.94%

     

    Flavor
    Alkane 35.45%
    Citrus 25.73%
    Gasoline 21.64%
    Honeydew 20.35%
    Fresh 19.56%
    Skunky 19.56%
    Rotten 19.5%
    Biscuit 19.32%
    Bloody 19.3%
    Glue 19.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.26 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Flash point

    • 16.78 ˚C est.

  • Synonyms

    • 3-Octene
    • DTXSID40862260
    • CHEBI:167526
    • RefChem:1068379
    • DTXCID60811053
    • 592-98-3
    • Oct-3-ene
    • SCHEMBL55770
    • SCHEMBL100328
    • SCHEMBL100901
    • SCHEMBL365730
    • SCHEMBL525965
    • SCHEMBL782616
    • SCHEMBL957881
    • SCHEMBL2120663
    • SCHEMBL2317313
    • SCHEMBL2319599
    • SCHEMBL2892708
    • SCHEMBL3899478
    • SCHEMBL3899481
    • SCHEMBL5104966
    • SCHEMBL6401929
    • SCHEMBL6636979
    • SCHEMBL7177420
    • SCHEMBL9209761
    • SCHEMBL28861695
    • DB-042975
    • NS00080534
    • 592-98-3

  • Applications

    3-Octene (CAS 592-98-3) is an internal olefin used as a chemical building block with several real-world applications. In polymer manufacturing, it can serve as a reactive co-monomer to tailor polyolefin properties such as flexibility, toughness, and clarity through appropriate catalytic polymerization. It also functions as an intermediate in the synthesis of functionalized products via hydroformylation or oxidation, yielding aldehydes, alcohols, or acids that feed into further chemical manufacturing for specialty chemicals and materials. As a feedstock in refinery and petrochemical processing, 3-octene may participate in cracking or transformation processes to produce lighter olefins and various derivatives. Additionally, it serves as a building block in research and development for polymer chemistry and organic synthesis, enabling exploration of new materials and transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3624.92
    methanol 1868.72
    isopropanol 4276.16
    water 0.03
    ethyl acetate 5414.9
    n-propanol 3896.24
    acetone 4888.96
    n-butanol 5893.84
    acetonitrile 2561.82
    DMF 2102.49
    toluene 4081.73
    isobutanol 3238.24
    1,4-dioxane 7409.96
    methyl acetate 2776.77
    THF 13054.91
    2-butanone 4661.0
    n-pentanol 3668.26
    sec-butanol 4746.5
    n-hexane 11611.27
    ethylene glycol 185.76
    NMP 1758.09
    cyclohexane 12532.99
    DMSO 3352.56
    n-butyl acetate 12864.94
    n-octanol 2405.5
    chloroform 8351.81
    n-propyl acetate 3703.73
    acetic acid 1187.04
    dichloromethane 7565.84
    cyclohexanone 6193.14
    propylene glycol 426.47
    isopropyl acetate 3562.19
    DMAc 1393.3
    2-ethoxyethanol 1963.98
    isopentanol 5246.84
    n-heptane 15697.09
    ethyl formate 1691.36
    1,2-dichloroethane 5796.13
    n-hexanol 9836.53
    2-methoxyethanol 2636.5
    isobutyl acetate 2249.28
    tetrachloromethane 2562.29
    n-pentyl acetate 3443.25
    transcutol 6736.89
    n-heptanol 2613.13
    ethylbenzene 2090.76
    MIBK 3313.57
    2-propoxyethanol 5584.51
    tert-butanol 6243.96
    MTBE 9279.58
    2-butoxyethanol 2325.01
    propionic acid 1457.09
    o-xylene 1580.66
    formic acid 102.66
    diethyl ether 13729.18
    m-xylene 2151.84
    p-xylene 2065.72
    chlorobenzene 2755.39
    dimethyl carbonate 437.57
    n-octane 2697.58
    formamide 178.84
    cyclopentanone 4884.39
    2-pentanone 5784.92
    anisole 2053.28
    cyclopentyl methyl ether 7755.48
    gamma-butyrolactone 3143.49
    1-methoxy-2-propanol 2750.07
    pyridine 5672.35
    3-pentanone 3414.61
    furfural 1837.98
    n-dodecane 918.82
    diethylene glycol 1307.73
    diisopropyl ether 4347.86
    tert-amyl alcohol 5124.21
    acetylacetone 2715.43
    n-hexadecane 1073.61
    acetophenone 1136.18
    methyl propionate 2370.5
    isopentyl acetate 8122.18
    trichloroethylene 6078.69
    n-nonanol 2120.31
    cyclohexanol 5116.0
    benzyl alcohol 1074.36
    2-ethylhexanol 8744.34
    isooctanol 2092.71
    dipropyl ether 18426.15
    1,2-dichlorobenzene 1825.71
    ethyl lactate 559.18
    propylene carbonate 1879.28
    n-methylformamide 805.62
    2-pentanol 5464.64
    n-pentane 8337.62
    1-propoxy-2-propanol 6524.58
    1-methoxy-2-propyl acetate 3603.51
    2-(2-methoxypropoxy) propanol 1263.09
    mesitylene 1387.09
    ε-caprolactone 4465.93
    p-cymene 2350.18
    epichlorohydrin 4956.63
    1,1,1-trichloroethane 6581.01
    2-aminoethanol 559.59
    morpholine-4-carbaldehyde 2019.96
    sulfolane 2949.96
    2,2,4-trimethylpentane 1818.84
    2-methyltetrahydrofuran 13052.53
    n-hexyl acetate 3896.22
    isooctane 1851.29
    2-(2-butoxyethoxy)ethanol 2144.15
    sec-butyl acetate 2475.54
    tert-butyl acetate 3542.94
    decalin 2392.89
    glycerin 369.27
    diglyme 4191.89
    acrylic acid 714.46
    isopropyl myristate 1433.89
    n-butyric acid 4095.79
    acetyl acetate 1689.73
    di(2-ethylhexyl) phthalate 659.02
    ethyl propionate 2763.73
    nitromethane 1502.74
    1,2-diethoxyethane 8468.35
    benzonitrile 1907.1
    trioctyl phosphate 687.37
    1-bromopropane 11394.73
    gamma-valerolactone 3654.84
    n-decanol 1539.57
    triethyl phosphate 1153.63
    4-methyl-2-pentanol 2623.22
    propionitrile 3543.49
    vinylene carbonate 1262.93
    1,1,2-trichlorotrifluoroethane 1787.28
    DMS 933.2
    cumene 1123.77
    2-octanol 1927.32
    2-hexanone 4791.81
    octyl acetate 1625.43
    limonene 5459.57
    1,2-dimethoxyethane 5738.88
    ethyl orthosilicate 1554.52
    tributyl phosphate 909.94
    diacetone alcohol 2149.37
    N,N-dimethylaniline 1194.3
    acrylonitrile 2226.68
    aniline 2349.14
    1,3-propanediol 1231.55
    bromobenzene 3623.26
    dibromomethane 8070.35
    1,1,2,2-tetrachloroethane 5311.03
    2-methyl-cyclohexyl acetate 2721.76
    tetrabutyl urea 1102.82
    diisobutyl methanol 3868.92
    2-phenylethanol 2196.97
    styrene 2620.7
    dioctyl adipate 1350.75
    dimethyl sulfate 485.2
    ethyl butyrate 7157.42
    methyl lactate 452.14
    butyl lactate 1250.29
    diethyl carbonate 2580.64
    propanediol butyl ether 1122.07
    triethyl orthoformate 3978.43
    p-tert-butyltoluene 2207.09
    methyl 4-tert-butylbenzoate 978.73
    morpholine 8777.01
    tert-butylamine 6929.54
    n-dodecanol 1231.91
    dimethoxymethane 2590.83
    ethylene carbonate 1477.46
    cyrene 627.68
    2-ethoxyethyl acetate 2402.39
    2-ethylhexyl acetate 7172.06
    1,2,4-trichlorobenzene 1715.31
    4-methylpyridine 5263.19
    dibutyl ether 9663.62
    2,6-dimethyl-4-heptanol 3868.92
    DEF 3862.42
    dimethyl isosorbide 2053.87
    tetrachloroethylene 3615.96
    eugenol 785.94
    triacetin 1198.08
    span 80 1695.96
    1,4-butanediol 421.52
    1,1-dichloroethane 6902.87
    2-methyl-1-pentanol 3204.5
    methyl formate 519.66
    2-methyl-1-butanol 4197.65
    n-decane 2033.43
    butyronitrile 6320.77
    3,7-dimethyl-1-octanol 2931.29
    1-chlorooctane 3357.41
    1-chlorotetradecane 1086.13
    n-nonane 2693.19
    undecane 1295.85
    tert-butylcyclohexane 2134.68
    cyclooctane 4274.29
    cyclopentanol 3748.54
    tetrahydropyran 16848.41
    tert-amyl methyl ether 5845.49
    2,5,8-trioxanonane 2061.28
    1-hexene 15871.82
    2-isopropoxyethanol 1725.58
    2,2,2-trifluoroethanol 168.2
    methyl butyrate 3780.4

    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