3-Hexene

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  • Identifiers

    CAS number
    592-47-2

    Molecular formula
    C6H12

    SMILES
    CCC=CCC

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Gassy 58.87%
    Green 48.7%
    Sweet 35.58%
    Fresh 34.71%
    Ethereal 34.29%
    Fruity 30.67%
    Vegetable 24.44%
    Pungent 21.42%
    Sharp 21.0%
    Apple 20.87%

     

    Flavor
    Citrus 29.63%
    Alkane 26.69%
    Green 26.65%
    Gasoline 23.91%
    Fresh 22.37%
    Fishy 20.72%
    Rotten 20.62%
    Biscuit 20.54%
    Ethereal 20.41%
    Honeydew 19.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.8 (weak base)

    Molecular weight
    84.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    60°C

    Flash point

    • -22.98 ˚C est.

  • Synonyms

    • 3-HEXENE
    • Hex-3-ene
    • 592-47-2
    • DTXSID9073202
    • 40FC9RS24T
    • CHEBI:176800
    • RefChem:1067907
    • DTXCID2042569
    • 209-758-9
    • hexa-3-ene
    • SCHEMBL8788
    • SCHEMBL20322
    • SCHEMBL20658
    • SCHEMBL20659
    • SCHEMBL20660
    • SCHEMBL43592
    • SCHEMBL453915
    • SCHEMBL581267
    • SCHEMBL582994
    • SCHEMBL1174180
    • SCHEMBL4663467
    • SCHEMBL4663512
    • SCHEMBL4663625
    • SCHEMBL4663999
    • SCHEMBL6641071
    • SCHEMBL8000999
    • SCHEMBL8673694
    • H0656
    • NS00034115
    • 592-47-2

  • Applications

    3-Hexene (CAS 592-47-2) is an unsaturated olefin with the double bond at C3, commonly treated as an intermediate feedstock in organic synthesis and chemical manufacturing. Practical applications include: serving as a source of conjugated olefin for polymer and polyolefin production; acting as a starting material for reactions to form aldehydes, alcohols, or acids via processes such as hydroformylation and oxidation; used as a solvent or reactive diluent in coatings and inks where appropriate; evaluated for fragrance and flavor chemistries as a precursor or matrix for aromatic compounds; and supporting R&D and process development for specialized chemicals through various synthetic routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 236.0
    methanol 131.69
    isopropanol 283.38
    water 0.02
    ethyl acetate 571.28
    n-propanol 302.17
    acetone 546.54
    n-butanol 449.0
    acetonitrile 303.03
    DMF 384.47
    toluene 597.67
    isobutanol 286.18
    1,4-dioxane 908.2
    methyl acetate 392.51
    THF 1901.36
    2-butanone 612.14
    n-pentanol 314.64
    sec-butanol 410.15
    n-hexane 1312.86
    ethylene glycol 22.09
    NMP 739.89
    cyclohexane 1341.87
    DMSO 503.09
    n-butyl acetate 1679.22
    n-octanol 417.83
    chloroform 1352.87
    n-propyl acetate 478.92
    acetic acid 157.99
    dichloromethane 1124.69
    cyclohexanone 1199.1
    propylene glycol 53.01
    isopropyl acetate 452.3
    DMAc 330.32
    2-ethoxyethanol 221.28
    isopentanol 487.63
    n-heptane 1958.89
    ethyl formate 218.6
    1,2-dichloroethane 811.85
    n-hexanol 1015.99
    2-methoxyethanol 309.27
    isobutyl acetate 366.15
    tetrachloromethane 545.07
    n-pentyl acetate 564.69
    transcutol 832.36
    n-heptanol 389.22
    ethylbenzene 376.23
    MIBK 456.23
    2-propoxyethanol 708.16
    tert-butanol 551.72
    MTBE 906.21
    2-butoxyethanol 355.99
    propionic acid 200.57
    o-xylene 356.3
    formic acid 14.62
    diethyl ether 1088.75
    m-xylene 407.28
    p-xylene 428.65
    chlorobenzene 591.98
    dimethyl carbonate 104.92
    n-octane 510.4
    formamide 23.85
    cyclopentanone 1206.63
    2-pentanone 671.43
    anisole 402.33
    cyclopentyl methyl ether 1234.27
    gamma-butyrolactone 881.89
    1-methoxy-2-propanol 336.99
    pyridine 741.99
    3-pentanone 524.6
    furfural 544.03
    n-dodecane 226.67
    diethylene glycol 193.17
    diisopropyl ether 497.93
    tert-amyl alcohol 576.51
    acetylacetone 481.31
    n-hexadecane 262.79
    acetophenone 309.71
    methyl propionate 345.46
    isopentyl acetate 1182.44
    trichloroethylene 1163.55
    n-nonanol 383.72
    cyclohexanol 622.96
    benzyl alcohol 207.89
    2-ethylhexanol 1113.08
    isooctanol 359.41
    dipropyl ether 2027.1
    1,2-dichlorobenzene 521.83
    ethyl lactate 140.78
    propylene carbonate 597.29
    n-methylformamide 119.39
    2-pentanol 480.91
    n-pentane 800.62
    1-propoxy-2-propanol 858.84
    1-methoxy-2-propyl acetate 636.64
    2-(2-methoxypropoxy) propanol 313.67
    mesitylene 304.1
    ε-caprolactone 855.58
    p-cymene 515.68
    epichlorohydrin 923.97
    1,1,1-trichloroethane 1247.43
    2-aminoethanol 61.93
    morpholine-4-carbaldehyde 498.03
    sulfolane 1036.48
    2,2,4-trimethylpentane 302.29
    2-methyltetrahydrofuran 1828.15
    n-hexyl acetate 729.9
    isooctane 284.86
    2-(2-butoxyethoxy)ethanol 437.71
    sec-butyl acetate 361.01
    tert-butyl acetate 564.21
    decalin 479.76
    glycerin 63.27
    diglyme 743.72
    acrylic acid 128.05
    isopropyl myristate 417.07
    n-butyric acid 474.27
    acetyl acetate 291.75
    di(2-ethylhexyl) phthalate 209.88
    ethyl propionate 417.03
    nitromethane 235.02
    1,2-diethoxyethane 1013.06
    benzonitrile 376.76
    trioctyl phosphate 211.27
    1-bromopropane 1331.96
    gamma-valerolactone 817.4
    n-decanol 306.27
    triethyl phosphate 329.54
    4-methyl-2-pentanol 307.67
    propionitrile 427.44
    vinylene carbonate 361.57
    1,1,2-trichlorotrifluoroethane 416.52
    DMS 268.0
    cumene 272.27
    2-octanol 348.87
    2-hexanone 679.76
    octyl acetate 422.24
    limonene 1081.28
    1,2-dimethoxyethane 682.94
    ethyl orthosilicate 373.4
    tributyl phosphate 281.09
    diacetone alcohol 427.14
    N,N-dimethylaniline 312.77
    acrylonitrile 317.58
    aniline 348.84
    1,3-propanediol 133.56
    bromobenzene 801.92
    dibromomethane 1156.18
    1,1,2,2-tetrachloroethane 1126.43
    2-methyl-cyclohexyl acetate 662.66
    tetrabutyl urea 368.29
    diisobutyl methanol 653.45
    2-phenylethanol 385.9
    styrene 447.01
    dioctyl adipate 406.29
    dimethyl sulfate 154.41
    ethyl butyrate 1003.14
    methyl lactate 113.43
    butyl lactate 282.15
    diethyl carbonate 501.44
    propanediol butyl ether 235.88
    triethyl orthoformate 690.13
    p-tert-butyltoluene 501.84
    methyl 4-tert-butylbenzoate 332.53
    morpholine 933.74
    tert-butylamine 585.6
    n-dodecanol 265.52
    dimethoxymethane 359.91
    ethylene carbonate 340.85
    cyrene 235.79
    2-ethoxyethyl acetate 414.36
    2-ethylhexyl acetate 1177.29
    1,2,4-trichlorobenzene 537.96
    4-methylpyridine 777.07
    dibutyl ether 1325.69
    2,6-dimethyl-4-heptanol 653.45
    DEF 581.56
    dimethyl isosorbide 673.87
    tetrachloroethylene 725.95
    eugenol 260.53
    triacetin 350.72
    span 80 400.16
    1,4-butanediol 51.74
    1,1-dichloroethane 952.15
    2-methyl-1-pentanol 366.53
    methyl formate 97.1
    2-methyl-1-butanol 444.42
    n-decane 431.04
    butyronitrile 637.12
    3,7-dimethyl-1-octanol 521.75
    1-chlorooctane 732.04
    1-chlorotetradecane 306.75
    n-nonane 542.07
    undecane 295.17
    tert-butylcyclohexane 444.8
    cyclooctane 653.4
    cyclopentanol 571.49
    tetrahydropyran 1678.67
    tert-amyl methyl ether 775.65
    2,5,8-trioxanonane 542.73
    1-hexene 1575.36
    2-isopropoxyethanol 221.31
    2,2,2-trifluoroethanol 39.61
    methyl butyrate 549.4

    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