Dodecanenitrile

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  • Identifiers

    CAS number
    2437-25-4

    Molecular formula
    C12H23N

    SMILES
    CCCCCCCCCCCC#N

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Citrus 63.3%
    Fresh 60.16%
    Fatty 56.62%
    Waxy 55.37%
    Green 48.22%
    Aldehydic 44.54%
    Orange 43.03%
    Floral 41.79%
    Fruity 39.25%
    Metallic 37.12%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    181.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    269°C

    Flash point est.
    117.69 ˚C

  • Synonyms

    • Dodecanenitrile
    • 2437-25-4
    • LAURONITRILE
    • Undecyl cyanide
    • Dodecanonitrile
    • n-Undecyl cyanide
    • 1-Cyanoundecane
    • Lauric nitrile
    • Decylacetonitrile
    • Lauric acid nitrile
    • Dodecane nitrile
    • Nitrile 12
    • NSC 1804
    • EINECS 219-440-1
    • UNII-TL45I6761P
    • BRN 0970348
    • DTXSID1022188
    • AI3-00311
    • TL45I6761P
    • NSC-1804
    • DODECANOIC ACID,NITRILE
    • DTXCID002188
    • EC 219-440-1
    • 4-02-00-01104 (Beilstein Handbook Reference)
    • CAS-2437-25-4
    • n-Dodecanenitrile
    • nitrile 1-2
    • MFCD00001946
    • Lauronitrile (8CI)
    • Dodecanenitrile, 99%
    • WLN: NC11
    • SCHEMBL181303
    • CHEMBL1879602
    • NSC1804
    • CHEBI:189391
    • Dodecanenitrile, analytical standard
    • Tox21_201304
    • Tox21_302921
    • AKOS009157556
    • NCGC00164232-01
    • NCGC00164232-02
    • NCGC00256610-01
    • NCGC00258856-01
    • AS-77469
    • L0110
    • NS00009031
    • EN300-65309
    • D91248
    • Q21099518
    • F8889-4662
    • Z966176448
    • 219-440-1
    • Dodecyl Nitrile

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2196.09
    methanol 1861.97
    isopropanol 2319.28
    water 0.04
    ethyl acetate 5454.35
    n-propanol 2286.23
    acetone 9595.39
    n-butanol 2048.53
    acetonitrile 3626.4
    DMF 5340.17
    toluene 2226.78
    isobutanol 1784.29
    1,4-dioxane 5827.46
    methyl acetate 3533.36
    THF 11209.54
    2-butanone 5716.7
    n-pentanol 1400.09
    sec-butanol 1939.22
    n-hexane 2513.04
    ethylene glycol 192.92
    NMP 4492.65
    cyclohexane 5120.26
    DMSO 7254.04
    n-butyl acetate 5079.68
    n-octanol 904.61
    chloroform 8272.0
    n-propyl acetate 3716.06
    acetic acid 1759.96
    dichloromethane 8255.62
    cyclohexanone 10919.43
    propylene glycol 411.21
    isopropyl acetate 3328.28
    DMAc 3040.99
    2-ethoxyethanol 1451.69
    isopentanol 1761.16
    n-heptane 2070.33
    ethyl formate 2241.71
    1,2-dichloroethane 6700.31
    n-hexanol 2119.53
    2-methoxyethanol 2436.63
    isobutyl acetate 2036.91
    tetrachloromethane 2301.28
    n-pentyl acetate 2711.37
    transcutol 5338.42
    n-heptanol 824.43
    ethylbenzene 1081.93
    MIBK 2537.58
    2-propoxyethanol 2330.94
    tert-butanol 2706.86
    MTBE 3745.14
    2-butoxyethanol 1291.21
    propionic acid 1958.69
    o-xylene 1030.75
    formic acid 231.64
    diethyl ether 6172.85
    m-xylene 1186.9
    p-xylene 1438.69
    chlorobenzene 3120.46
    dimethyl carbonate 954.65
    n-octane 498.8
    formamide 548.73
    cyclopentanone 10257.29
    2-pentanone 5818.01
    anisole 1656.39
    cyclopentyl methyl ether 6109.44
    gamma-butyrolactone 8022.34
    1-methoxy-2-propanol 2163.53
    pyridine 5861.66
    3-pentanone 4193.14
    furfural 4420.47
    n-dodecane 182.44
    diethylene glycol 963.97
    diisopropyl ether 1964.77
    tert-amyl alcohol 1900.84
    acetylacetone 5066.31
    n-hexadecane 228.87
    acetophenone 1567.96
    methyl propionate 3326.98
    isopentyl acetate 3501.33
    trichloroethylene 8980.47
    n-nonanol 759.4
    cyclohexanol 3362.24
    benzyl alcohol 933.42
    2-ethylhexanol 1696.14
    isooctanol 735.78
    dipropyl ether 5326.85
    1,2-dichlorobenzene 2607.94
    ethyl lactate 794.1
    propylene carbonate 3515.63
    n-methylformamide 2162.02
    2-pentanol 1857.52
    n-pentane 1526.6
    1-propoxy-2-propanol 2543.59
    1-methoxy-2-propyl acetate 2698.79
    2-(2-methoxypropoxy) propanol 908.87
    mesitylene 837.31
    ε-caprolactone 5578.32
    p-cymene 783.05
    epichlorohydrin 6247.63
    1,1,1-trichloroethane 6632.68
    2-aminoethanol 543.05
    morpholine-4-carbaldehyde 3309.9
    sulfolane 8244.26
    2,2,4-trimethylpentane 337.53
    2-methyltetrahydrofuran 7846.15
    n-hexyl acetate 2713.49
    isooctane 325.44
    2-(2-butoxyethoxy)ethanol 1406.95
    sec-butyl acetate 2251.09
    tert-butyl acetate 3167.62
    decalin 820.55
    glycerin 440.71
    diglyme 3477.98
    acrylic acid 1375.49
    isopropyl myristate 984.95
    n-butyric acid 3551.56
    acetyl acetate 2837.95
    di(2-ethylhexyl) phthalate 538.92
    ethyl propionate 2913.9
    nitromethane 4586.5
    1,2-diethoxyethane 3970.98
    benzonitrile 2106.15
    trioctyl phosphate 496.09
    1-bromopropane 5598.09
    gamma-valerolactone 7473.93
    n-decanol 512.51
    triethyl phosphate 1046.84
    4-methyl-2-pentanol 909.96
    propionitrile 3522.51
    vinylene carbonate 2735.59
    1,1,2-trichlorotrifluoroethane 3331.96
    DMS 1487.44
    cumene 606.74
    2-octanol 724.62
    2-hexanone 3748.26
    octyl acetate 1058.04
    limonene 1704.63
    1,2-dimethoxyethane 4014.6
    ethyl orthosilicate 1077.91
    tributyl phosphate 714.47
    diacetone alcohol 2154.07
    N,N-dimethylaniline 917.06
    acrylonitrile 3078.24
    aniline 1779.11
    1,3-propanediol 947.99
    bromobenzene 3889.4
    dibromomethane 6556.41
    1,1,2,2-tetrachloroethane 7626.47
    2-methyl-cyclohexyl acetate 1855.59
    tetrabutyl urea 924.2
    diisobutyl methanol 1155.96
    2-phenylethanol 1084.21
    styrene 1570.16
    dioctyl adipate 1274.25
    dimethyl sulfate 1575.5
    ethyl butyrate 3860.38
    methyl lactate 837.03
    butyl lactate 1337.6
    diethyl carbonate 1842.42
    propanediol butyl ether 958.8
    triethyl orthoformate 2281.43
    p-tert-butyltoluene 772.03
    methyl 4-tert-butylbenzoate 1121.43
    morpholine 6396.37
    tert-butylamine 2139.9
    n-dodecanol 401.5
    dimethoxymethane 3375.35
    ethylene carbonate 2847.49
    cyrene 840.4
    2-ethoxyethyl acetate 2440.84
    2-ethylhexyl acetate 2949.14
    1,2,4-trichlorobenzene 2507.44
    4-methylpyridine 4482.06
    dibutyl ether 3332.43
    2,6-dimethyl-4-heptanol 1155.96
    DEF 4458.79
    dimethyl isosorbide 1948.91
    tetrachloroethylene 5427.43
    eugenol 874.25
    triacetin 1866.13
    span 80 1068.75
    1,4-butanediol 372.83
    1,1-dichloroethane 6616.79
    2-methyl-1-pentanol 1080.76
    methyl formate 1481.61
    2-methyl-1-butanol 1519.37
    n-decane 446.76
    butyronitrile 3860.39
    3,7-dimethyl-1-octanol 932.18
    1-chlorooctane 1344.88
    1-chlorotetradecane 416.66
    n-nonane 559.84
    undecane 259.2
    tert-butylcyclohexane 597.92
    cyclooctane 1332.9
    cyclopentanol 3502.94
    tetrahydropyran 10565.58
    tert-amyl methyl ether 2295.18
    2,5,8-trioxanonane 1882.69
    1-hexene 4091.93
    2-isopropoxyethanol 1175.83
    2,2,2-trifluoroethanol 548.31
    methyl butyrate 4094.28

    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