Allyl cyanide

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    109-75-1

    Molecular formula
    C4H5N

    SMILES
    C=CCC#N

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Pungent 45.38%
    Green 42.25%
    Floral 35.47%
    Radish 31.75%
    Spicy 25.47%
    Sharp 24.69%
    Metallic 23.88%
    Alliaceous 23.6%
    Fruity 23.18%
    Garlic 21.52%

    Scent© AI

  • Properties

    XLogP3-AA
    0.4

    Molecular weight
    67.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    120°C

    Melting point expt.

    • -87 °C

    Flash point est.
    15.03 ˚C

  • Synonyms

    • 3-BUTENENITRILE
    • Allyl cyanide
    • but-3-enenitrile
    • 109-75-1
    • 3-Butenylnitrile
    • Vinylacetonitrile
    • 3-Butenonitrile
    • Allylnitrile
    • 3-Cyanopropene
    • 3-Cyano-1-propene
    • 1-Butene-4-nitrile
    • Propene-3-nitrile
    • Allylkyanid
    • Acetonitrile, vinyl-
    • beta-Butenonitrile
    • 2-Butenol-1
    • .beta.-Butenonitrile
    • allylcyanide
    • Allylkyanid [Czech]
    • NSC 2583
    • 1-Propene-3-nitrile
    • TL 350
    • EINECS 203-701-1
    • AI3-18438
    • Allyl cyanide, 98%
    • 527U1WJJ18
    • NSC-2583
    • CH2=CHCH2CN
    • MFCD00001962
    • ALLYL CYANIDE [MI]
    • DTXSID6021905
    • CHEBI:183063
    • EC 203-701-1
    • 1-Butene-3-nitrile
    • 3Butenylnitrile
    • Propene3nitrile
    • 3Butenenitrile
    • 3Butenonitrile
    • 3Cyanopropene
    • UNII-527U1WJJ18
    • betaButenonitrile
    • 1Butene4nitrile
    • 3Cyano1propene
    • Vinyl-Acetonitrile
    • beta -butenonitrile
    • 2-Propenyl cyanide
    • Acetonitrile, vinyl
    • 3-Butenenitrile, 9CI
    • WLN: NC2U1
    • DTXCID901905
    • NSC2583
    • STL301993
    • AKOS000166696
    • FB54819
    • DB-000183
    • A0227
    • NS00008240
    • EN300-56336
    • H10716
    • Q1321290
    • 203-701-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 50.21
    methanol 80.95
    isopropanol 36.07
    water 4.36
    ethyl acetate 73.62
    n-propanol 39.9
    acetone 194.17
    n-butanol 30.21
    acetonitrile 101.17
    DMF 351.81
    toluene 16.87
    isobutanol 29.79
    1,4-dioxane 112.5
    methyl acetate 103.74
    THF 178.3
    2-butanone 96.71
    n-pentanol 25.91
    sec-butanol 30.34
    n-hexane 11.33
    ethylene glycol 59.19
    NMP 416.64
    cyclohexane 20.76
    DMSO 322.05
    n-butyl acetate 80.66
    n-octanol 44.33
    chloroform 131.79
    n-propyl acetate 55.49
    acetic acid 295.28
    dichloromethane 105.05
    cyclohexanone 169.61
    propylene glycol 53.85
    isopropyl acetate 42.71
    DMAc 216.37
    2-ethoxyethanol 47.98
    isopentanol 23.66
    n-heptane 16.61
    ethyl formate 54.55
    1,2-dichloroethane 77.55
    n-hexanol 47.87
    2-methoxyethanol 87.61
    isobutyl acetate 37.13
    tetrachloromethane 22.27
    n-pentyl acetate 47.08
    transcutol 276.42
    n-heptanol 28.5
    ethylbenzene 14.32
    MIBK 40.35
    2-propoxyethanol 85.3
    tert-butanol 48.57
    MTBE 33.4
    2-butoxyethanol 54.38
    propionic acid 133.1
    o-xylene 19.29
    formic acid 96.83
    diethyl ether 34.02
    m-xylene 15.69
    p-xylene 22.54
    chlorobenzene 58.47
    dimethyl carbonate 65.68
    n-octane 6.46
    formamide 94.18
    cyclopentanone 270.21
    2-pentanone 71.59
    anisole 49.72
    cyclopentyl methyl ether 76.58
    gamma-butyrolactone 309.63
    1-methoxy-2-propanol 72.64
    pyridine 97.51
    3-pentanone 71.62
    furfural 238.2
    n-dodecane 7.8
    diethylene glycol 99.79
    diisopropyl ether 15.62
    tert-amyl alcohol 38.43
    acetylacetone 125.67
    n-hexadecane 8.75
    acetophenone 65.77
    methyl propionate 88.09
    isopentyl acetate 65.99
    trichloroethylene 176.11
    n-nonanol 39.58
    cyclohexanol 49.03
    benzyl alcohol 37.61
    2-ethylhexanol 38.62
    isooctanol 24.61
    dipropyl ether 46.68
    1,2-dichlorobenzene 74.37
    ethyl lactate 53.53
    propylene carbonate 159.97
    n-methylformamide 126.68
    2-pentanol 23.34
    n-pentane 7.42
    1-propoxy-2-propanol 80.24
    1-methoxy-2-propyl acetate 89.65
    2-(2-methoxypropoxy) propanol 108.29
    mesitylene 14.08
    ε-caprolactone 131.23
    p-cymene 24.72
    epichlorohydrin 143.98
    1,1,1-trichloroethane 85.35
    2-aminoethanol 56.76
    morpholine-4-carbaldehyde 232.2
    sulfolane 409.61
    2,2,4-trimethylpentane 6.15
    2-methyltetrahydrofuran 104.02
    n-hexyl acetate 86.73
    isooctane 4.87
    2-(2-butoxyethoxy)ethanol 116.06
    sec-butyl acetate 34.89
    tert-butyl acetate 53.92
    decalin 12.05
    glycerin 88.13
    diglyme 178.17
    acrylic acid 184.85
    isopropyl myristate 46.11
    n-butyric acid 96.82
    acetyl acetate 80.77
    di(2-ethylhexyl) phthalate 54.0
    ethyl propionate 53.99
    nitromethane 414.88
    1,2-diethoxyethane 66.11
    benzonitrile 69.48
    trioctyl phosphate 39.87
    1-bromopropane 31.78
    gamma-valerolactone 232.11
    n-decanol 32.22
    triethyl phosphate 44.94
    4-methyl-2-pentanol 17.06
    propionitrile 56.22
    vinylene carbonate 149.94
    1,1,2-trichlorotrifluoroethane 180.82
    DMS 117.28
    cumene 15.42
    2-octanol 22.78
    2-hexanone 55.6
    octyl acetate 60.73
    limonene 39.83
    1,2-dimethoxyethane 85.95
    ethyl orthosilicate 37.93
    tributyl phosphate 52.69
    diacetone alcohol 75.51
    N,N-dimethylaniline 42.04
    acrylonitrile 95.76
    aniline 41.54
    1,3-propanediol 46.97
    bromobenzene 50.97
    dibromomethane 64.12
    1,1,2,2-tetrachloroethane 148.14
    2-methyl-cyclohexyl acetate 69.02
    tetrabutyl urea 71.41
    diisobutyl methanol 26.87
    2-phenylethanol 54.38
    styrene 20.61
    dioctyl adipate 80.04
    dimethyl sulfate 139.38
    ethyl butyrate 63.98
    methyl lactate 82.59
    butyl lactate 58.96
    diethyl carbonate 55.96
    propanediol butyl ether 81.91
    triethyl orthoformate 49.24
    p-tert-butyltoluene 24.19
    methyl 4-tert-butylbenzoate 88.27
    morpholine 111.87
    tert-butylamine 30.91
    n-dodecanol 28.05
    dimethoxymethane 90.76
    ethylene carbonate 98.99
    cyrene 93.17
    2-ethoxyethyl acetate 68.37
    2-ethylhexyl acetate 56.1
    1,2,4-trichlorobenzene 95.1
    4-methylpyridine 74.2
    dibutyl ether 44.34
    2,6-dimethyl-4-heptanol 26.87
    DEF 97.64
    dimethyl isosorbide 161.67
    tetrachloroethylene 104.31
    eugenol 87.99
    triacetin 133.11
    span 80 105.27
    1,4-butanediol 27.68
    1,1-dichloroethane 67.82
    2-methyl-1-pentanol 23.58
    methyl formate 110.07
    2-methyl-1-butanol 24.9
    n-decane 10.57
    butyronitrile 42.79
    3,7-dimethyl-1-octanol 44.11
    1-chlorooctane 33.72
    1-chlorotetradecane 19.33
    n-nonane 10.1
    undecane 8.86
    tert-butylcyclohexane 10.43
    cyclooctane 6.98
    cyclopentanol 74.95
    tetrahydropyran 90.59
    tert-amyl methyl ether 29.84
    2,5,8-trioxanonane 168.02
    1-hexene 22.16
    2-isopropoxyethanol 38.52
    2,2,2-trifluoroethanol 111.33
    methyl butyrate 70.34

    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

Botanical

Name CAS Botanical Proportion
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 20.2%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 17.3%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 10.7%
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 6.05%