4-Pentenenitrile

Overview IFRA Request a quote

  • Identifiers

    CAS number
    592-51-8

    Molecular formula
    C5H7N

    SMILES
    C=CCCC#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 63.26%
    Floral 43.46%
    Fruity 42.71%
    Pungent 32.6%
    Fatty 29.12%
    Metallic 28.51%
    Aldehydic 27.08%
    Fresh 25.55%
    Spicy 25.51%
    Radish 25.31%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    81.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 140 °C

    Flash point est.
    35.59 ˚C

    Solubility expt.

    • INSOL IN WATER; MISCIBLE WITH ALCOHOL, ETHER

  • Synonyms

    • 4-PENTENENITRILE
    • pent-4-enenitrile
    • 592-51-8
    • Allylacetonitrile
    • 4-Pentenonitrile
    • 3-Butenyl cyanide
    • 1-Cyano-3-butene
    • 4-Cyano-1-butene
    • Allylmethyl cyanide
    • 4-Pentenoic acid, nitrile
    • HSDB 5709
    • EINECS 209-762-0
    • MFCD00151259
    • DTXSID0027228
    • 89HYM37372
    • DTXCID907228
    • 4-PENTENENITRILE [HSDB]
    • 4Pentenonitrile
    • 4 pentenenitrile
    • 4Cyano1butene
    • 3Butenyl cyanide
    • UNII-89HYM37372
    • 4-cyano-butene
    • 4Pentenoic acid, nitrile
    • 4-Pentenenitrile, 97%
    • CHEMBL1595985
    • CFEYBLWMNFZOPB-UHFFFAOYSA-
    • Tox21_201124
    • BBL100738
    • GEO-02090
    • STL554532
    • AKOS005255308
    • NCGC00091813-01
    • NCGC00091813-02
    • NCGC00258676-01
    • CAS-592-51-8
    • SY050622
    • NS00034116
    • P1207
    • C16042
    • EN300-222146
    • Q27270043
    • Z1219746591
    • InChI=1/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 124.85
    methanol 233.73
    isopropanol 80.74
    water 3.81
    ethyl acetate 121.71
    n-propanol 95.52
    acetone 247.24
    n-butanol 68.79
    acetonitrile 149.47
    DMF 751.67
    toluene 47.78
    isobutanol 63.32
    1,4-dioxane 178.09
    methyl acetate 158.5
    THF 213.1
    2-butanone 144.39
    n-pentanol 50.64
    sec-butanol 60.35
    n-hexane 11.57
    ethylene glycol 119.99
    NMP 417.88
    cyclohexane 18.2
    DMSO 499.54
    n-butyl acetate 111.77
    n-octanol 48.33
    chloroform 288.84
    n-propyl acetate 77.43
    acetic acid 218.09
    dichloromethane 206.81
    cyclohexanone 187.77
    propylene glycol 114.62
    isopropyl acetate 62.98
    DMAc 434.88
    2-ethoxyethanol 95.22
    isopentanol 49.18
    n-heptane 14.8
    ethyl formate 101.76
    1,2-dichloroethane 133.17
    n-hexanol 78.76
    2-methoxyethanol 210.41
    isobutyl acetate 47.89
    tetrachloromethane 52.52
    n-pentyl acetate 59.88
    transcutol 356.91
    n-heptanol 39.68
    ethylbenzene 26.91
    MIBK 55.33
    2-propoxyethanol 144.26
    tert-butanol 80.98
    MTBE 56.12
    2-butoxyethanol 82.22
    propionic acid 179.75
    o-xylene 36.65
    formic acid 109.63
    diethyl ether 61.87
    m-xylene 33.4
    p-xylene 38.98
    chlorobenzene 104.71
    dimethyl carbonate 105.07
    n-octane 5.91
    formamide 137.87
    cyclopentanone 267.0
    2-pentanone 103.64
    anisole 77.81
    cyclopentyl methyl ether 87.11
    gamma-butyrolactone 299.71
    1-methoxy-2-propanol 153.75
    pyridine 207.16
    3-pentanone 94.49
    furfural 307.43
    n-dodecane 6.14
    diethylene glycol 155.69
    diisopropyl ether 18.95
    tert-amyl alcohol 59.67
    acetylacetone 170.86
    n-hexadecane 6.82
    acetophenone 91.59
    methyl propionate 139.16
    isopentyl acetate 78.21
    trichloroethylene 301.5
    n-nonanol 41.58
    cyclohexanol 64.89
    benzyl alcohol 64.59
    2-ethylhexanol 50.03
    isooctanol 31.99
    dipropyl ether 60.46
    1,2-dichlorobenzene 100.64
    ethyl lactate 65.14
    propylene carbonate 163.82
    n-methylformamide 271.41
    2-pentanol 42.99
    n-pentane 9.09
    1-propoxy-2-propanol 112.24
    1-methoxy-2-propyl acetate 106.53
    2-(2-methoxypropoxy) propanol 101.07
    mesitylene 24.27
    ε-caprolactone 140.87
    p-cymene 27.25
    epichlorohydrin 192.17
    1,1,1-trichloroethane 142.28
    2-aminoethanol 130.99
    morpholine-4-carbaldehyde 328.77
    sulfolane 371.74
    2,2,4-trimethylpentane 6.0
    2-methyltetrahydrofuran 121.81
    n-hexyl acetate 86.23
    isooctane 4.53
    2-(2-butoxyethoxy)ethanol 131.69
    sec-butyl acetate 44.77
    tert-butyl acetate 64.21
    decalin 10.83
    glycerin 168.51
    diglyme 249.4
    acrylic acid 212.68
    isopropyl myristate 37.14
    n-butyric acid 147.42
    acetyl acetate 101.9
    di(2-ethylhexyl) phthalate 47.3
    ethyl propionate 73.35
    nitromethane 409.31
    1,2-diethoxyethane 97.59
    benzonitrile 111.82
    trioctyl phosphate 34.41
    1-bromopropane 65.32
    gamma-valerolactone 284.44
    n-decanol 32.14
    triethyl phosphate 41.2
    4-methyl-2-pentanol 26.68
    propionitrile 116.11
    vinylene carbonate 183.92
    1,1,2-trichlorotrifluoroethane 261.84
    DMS 119.92
    cumene 20.95
    2-octanol 27.37
    2-hexanone 73.67
    octyl acetate 50.57
    limonene 40.05
    1,2-dimethoxyethane 172.0
    ethyl orthosilicate 36.83
    tributyl phosphate 41.7
    diacetone alcohol 96.83
    N,N-dimethylaniline 59.44
    acrylonitrile 183.1
    aniline 79.72
    1,3-propanediol 111.87
    bromobenzene 104.0
    dibromomethane 131.78
    1,1,2,2-tetrachloroethane 255.38
    2-methyl-cyclohexyl acetate 57.67
    tetrabutyl urea 61.81
    diisobutyl methanol 31.09
    2-phenylethanol 74.96
    styrene 43.28
    dioctyl adipate 63.65
    dimethyl sulfate 200.01
    ethyl butyrate 81.75
    methyl lactate 124.04
    butyl lactate 67.21
    diethyl carbonate 60.83
    propanediol butyl ether 106.96
    triethyl orthoformate 53.83
    p-tert-butyltoluene 26.66
    methyl 4-tert-butylbenzoate 81.85
    morpholine 189.39
    tert-butylamine 49.19
    n-dodecanol 26.26
    dimethoxymethane 195.29
    ethylene carbonate 127.26
    cyrene 93.18
    2-ethoxyethyl acetate 90.16
    2-ethylhexyl acetate 61.31
    1,2,4-trichlorobenzene 123.23
    4-methylpyridine 159.4
    dibutyl ether 50.81
    2,6-dimethyl-4-heptanol 31.09
    DEF 166.53
    dimethyl isosorbide 146.1
    tetrachloroethylene 178.5
    eugenol 92.92
    triacetin 122.08
    span 80 100.73
    1,4-butanediol 56.42
    1,1-dichloroethane 138.09
    2-methyl-1-pentanol 40.17
    methyl formate 207.69
    2-methyl-1-butanol 46.83
    n-decane 8.89
    butyronitrile 89.14
    3,7-dimethyl-1-octanol 43.96
    1-chlorooctane 31.81
    1-chlorotetradecane 15.73
    n-nonane 8.6
    undecane 7.11
    tert-butylcyclohexane 10.28
    cyclooctane 6.91
    cyclopentanol 97.72
    tetrahydropyran 131.67
    tert-amyl methyl ether 43.79
    2,5,8-trioxanonane 184.35
    1-hexene 33.18
    2-isopropoxyethanol 63.39
    2,2,2-trifluoroethanol 103.48
    methyl butyrate 101.47

    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