5-Hexenenitrile

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  • Identifiers

    CAS number
    5048-19-1

    Molecular formula
    C6H9N

    SMILES
    C=CCCCC#N

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 68.86%
    Floral 52.8%
    Fruity 41.12%
    Fatty 40.97%
    Aldehydic 38.43%
    Fresh 37.8%
    Citrus 34.53%
    Metallic 30.91%
    Leafy 27.2%
    Waxy 24.56%

     

    Flavor
    Nitrile 20.01%
    Glue 18.33%
    Ammoniacal 18.13%
    Bloody 18.1%
    Skunky 18.04%
    Terpentine 18.0%
    Oriental 18.0%
    Mouldy 17.8%
    Mousy 17.75%
    Rotten 17.59%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.91 (neutral)

    Molecular weight
    95.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    157°C

    Flash point

    • 55.55 ˚C est.

  • Synonyms

    • 5-Hexenenitrile
    • 5048-19-1
    • hex-5-enenitrile
    • 4-Pentenyl cyanide
    • DTXSID50198502
    • RefChem:536104
    • DTXCID40120993
    • 624-976-8
    • MFCD00067056
    • 5-Cyano-1-pentene
    • hex-1-ene-6-nitrile
    • 5-Hexenenitrile, 95%
    • SCHEMBL150327
    • SCHEMBL3166725
    • SCHEMBL9036704
    • SCHEMBL11764763
    • MSK163010
    • AKOS009157709
    • SY049978
    • H0836
    • D90957
    • EN300-139487
    • F200012
    • 5048-19-1

  • Applications

    5-Hexenenitrile is primarily used as an industrial chemical intermediate and building block for nitrile-containing monomers and specialty polymers. In polymer manufacturing, it can act as a reactive comonomer to copolymerize with other monomers, yielding nitrile-functional polymers used in coatings, inks, and adhesives where the cyano group enhances polarity and adhesion. It also serves as a precursor to more complex nitrile compounds and pharmaceutical intermediates, and may be considered for specialty resins and electronics-related materials. Additionally, it can serve as a starting material for transformations to more elaborate nitrile derivatives in research and development. It is used in accordance with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 514.08
    methanol 613.67
    isopropanol 303.54
    water 2.04
    ethyl acetate 931.28
    n-propanol 351.35
    acetone 1823.02
    n-butanol 314.85
    acetonitrile 745.74
    DMF 1525.91
    toluene 198.74
    isobutanol 225.96
    1,4-dioxane 1103.15
    methyl acetate 777.45
    THF 1925.3
    2-butanone 942.59
    n-pentanol 197.18
    sec-butanol 229.37
    n-hexane 80.09
    ethylene glycol 178.16
    NMP 1601.77
    cyclohexane 210.0
    DMSO 2484.53
    n-butyl acetate 811.81
    n-octanol 164.27
    chloroform 1344.59
    n-propyl acetate 475.27
    acetic acid 1146.19
    dichloromethane 1600.55
    cyclohexanone 1469.37
    propylene glycol 170.57
    isopropyl acetate 442.76
    DMAc 813.18
    2-ethoxyethanol 298.79
    isopentanol 218.75
    n-heptane 104.03
    ethyl formate 524.88
    1,2-dichloroethane 1039.09
    n-hexanol 330.34
    2-methoxyethanol 567.18
    isobutyl acetate 255.07
    tetrachloromethane 232.16
    n-pentyl acetate 320.85
    transcutol 1713.73
    n-heptanol 126.82
    ethylbenzene 97.82
    MIBK 309.16
    2-propoxyethanol 476.85
    tert-butanol 313.22
    MTBE 298.95
    2-butoxyethanol 239.98
    propionic acid 613.63
    o-xylene 115.7
    formic acid 336.49
    diethyl ether 559.45
    m-xylene 120.91
    p-xylene 138.05
    chlorobenzene 489.89
    dimethyl carbonate 315.13
    n-octane 31.21
    formamide 486.89
    cyclopentanone 2030.64
    2-pentanone 772.37
    anisole 264.8
    cyclopentyl methyl ether 689.74
    gamma-butyrolactone 2073.92
    1-methoxy-2-propanol 401.27
    pyridine 952.78
    3-pentanone 617.22
    furfural 1314.68
    n-dodecane 25.59
    diethylene glycol 383.41
    diisopropyl ether 147.91
    tert-amyl alcohol 222.04
    acetylacetone 1005.78
    n-hexadecane 29.98
    acetophenone 289.35
    methyl propionate 665.48
    isopentyl acetate 506.68
    trichloroethylene 1897.32
    n-nonanol 139.25
    cyclohexanol 366.32
    benzyl alcohol 175.39
    2-ethylhexanol 203.95
    isooctanol 98.45
    dipropyl ether 403.38
    1,2-dichlorobenzene 425.17
    ethyl lactate 179.33
    propylene carbonate 937.23
    n-methylformamide 752.65
    2-pentanol 205.75
    n-pentane 71.15
    1-propoxy-2-propanol 403.27
    1-methoxy-2-propyl acetate 594.77
    2-(2-methoxypropoxy) propanol 297.66
    mesitylene 88.17
    ε-caprolactone 914.06
    p-cymene 110.84
    epichlorohydrin 1311.79
    1,1,1-trichloroethane 787.58
    2-aminoethanol 232.34
    morpholine-4-carbaldehyde 1065.81
    sulfolane 2256.81
    2,2,4-trimethylpentane 25.46
    2-methyltetrahydrofuran 1180.64
    n-hexyl acetate 428.25
    isooctane 22.56
    2-(2-butoxyethoxy)ethanol 423.97
    sec-butyl acetate 261.46
    tert-butyl acetate 422.97
    decalin 57.64
    glycerin 244.36
    diglyme 853.87
    acrylic acid 623.32
    isopropyl myristate 176.98
    n-butyric acid 755.48
    acetyl acetate 668.13
    di(2-ethylhexyl) phthalate 156.99
    ethyl propionate 387.84
    nitromethane 2280.05
    1,2-diethoxyethane 645.66
    benzonitrile 376.98
    trioctyl phosphate 127.91
    1-bromopropane 510.87
    gamma-valerolactone 1602.49
    n-decanol 106.76
    triethyl phosphate 179.81
    4-methyl-2-pentanol 103.63
    propionitrile 497.26
    vinylene carbonate 767.05
    1,1,2-trichlorotrifluoroethane 838.63
    DMS 484.87
    cumene 68.87
    2-octanol 94.41
    2-hexanone 460.02
    octyl acetate 226.44
    limonene 216.37
    1,2-dimethoxyethane 670.39
    ethyl orthosilicate 161.48
    tributyl phosphate 175.05
    diacetone alcohol 375.38
    N,N-dimethylaniline 154.14
    acrylonitrile 641.82
    aniline 265.82
    1,3-propanediol 297.43
    bromobenzene 523.23
    dibromomethane 920.39
    1,1,2,2-tetrachloroethane 1219.15
    2-methyl-cyclohexyl acetate 308.86
    tetrabutyl urea 220.33
    diisobutyl methanol 128.72
    2-phenylethanol 230.58
    styrene 149.7
    dioctyl adipate 272.17
    dimethyl sulfate 580.77
    ethyl butyrate 504.84
    methyl lactate 279.59
    butyl lactate 243.64
    diethyl carbonate 305.67
    propanediol butyl ether 291.04
    triethyl orthoformate 298.1
    p-tert-butyltoluene 102.26
    methyl 4-tert-butylbenzoate 252.55
    morpholine 1034.28
    tert-butylamine 188.34
    n-dodecanol 88.8
    dimethoxymethane 693.29
    ethylene carbonate 641.28
    cyrene 267.6
    2-ethoxyethyl acetate 473.04
    2-ethylhexyl acetate 403.41
    1,2,4-trichlorobenzene 463.15
    4-methylpyridine 686.23
    dibutyl ether 314.39
    2,6-dimethyl-4-heptanol 128.72
    DEF 725.55
    dimethyl isosorbide 588.18
    tetrachloroethylene 848.11
    eugenol 240.37
    triacetin 475.04
    span 80 299.09
    1,4-butanediol 121.52
    1,1-dichloroethane 877.85
    2-methyl-1-pentanol 150.96
    methyl formate 690.62
    2-methyl-1-butanol 196.08
    n-decane 40.25
    butyronitrile 500.64
    3,7-dimethyl-1-octanol 149.88
    1-chlorooctane 153.27
    1-chlorotetradecane 66.36
    n-nonane 42.07
    undecane 31.18
    tert-butylcyclohexane 41.9
    cyclooctane 55.98
    cyclopentanol 514.53
    tetrahydropyran 1231.09
    tert-amyl methyl ether 215.05
    2,5,8-trioxanonane 577.54
    1-hexene 210.82
    2-isopropoxyethanol 216.48
    2,2,2-trifluoroethanol 353.03
    methyl butyrate 524.85

    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