2-Methyldodecanonitrile

Overview IFRA Request a quote

  • Identifiers

    CAS number
    65644-60-2

    Molecular formula
    C13H25N

    SMILES
    CCCCCCCCCCC(C)C#N

    Safety labels

  • Odor profile

    Fragrance
    Citrus 56.49%
    Fruity 54.86%
    Green 51.1%
    Fresh 48.82%
    Waxy 47.61%
    Floral 46.42%
    Fatty 42.89%
    Metallic 37.33%
    Aldehydic 36.67%
    Oily 34.18%

     

    Flavor
    Bland 23.96%
    Delicate 20.74%
    Slightly waxy 19.64%
    Diterpene 19.05%
    Oriental 18.91%
    Skunky 18.91%
    Low 18.86%
    Terpentine 18.71%
    Leathery 18.51%
    Cedarleaf 18.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.65 (neutral)

    Molecular weight
    195.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    280°C

    Flash point

    • 118.84 ˚C est.

  • Synonyms

    • 2-Methyldodecanonitrile
    • 2-methyldodecanenitrile
    • 65644-60-2
    • Dodecanenitrile, 2-methyl-
    • 2-cyanododecane
    • EINECS 265-850-9
    • alpha-Methyldodecanenitrile
    • 8W9D5S8DPX
    • SCHEMBL9787863
    • SCHEMBL22207069
    • DTXSID80984197
    • NS00056700
    • 65644-60-2

  • Applications

    2-Methyldodecanonitrile (CAS 65644-60-2) is commonly used as an organic-synthesis intermediate and building block for specialty chemicals in industrial manufacturing, with potential applications in agrochemical and pharmaceutical syntheses. It may serve as a precursor for the synthesis of nitrile-containing polymers or other specialty materials. It can function as a solvent or processing aid in coatings, inks, and adhesives formulations. In perfumery and fragrance applications, it may be used as a fragrance intermediate or odorant in select formulations. It may also be used as a solvent or carrier in cleaning and industrial formulations. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3629.01
    methanol 2978.57
    isopropanol 3933.1
    water 0.05
    ethyl acetate 8904.43
    n-propanol 3731.89
    acetone 12927.55
    n-butanol 3573.56
    acetonitrile 6087.01
    DMF 6723.71
    toluene 3028.85
    isobutanol 2964.9
    1,4-dioxane 7428.95
    methyl acetate 5389.24
    THF 13294.85
    2-butanone 8718.68
    n-pentanol 2318.7
    sec-butanol 3305.59
    n-hexane 3262.7
    ethylene glycol 222.23
    NMP 4975.43
    cyclohexane 5660.34
    DMSO 7390.61
    n-butyl acetate 8594.14
    n-octanol 1363.2
    chloroform 11206.99
    n-propyl acetate 6152.82
    acetic acid 2326.25
    dichloromethane 10923.71
    cyclohexanone 15001.82
    propylene glycol 523.89
    isopropyl acetate 5559.6
    DMAc 3782.32
    2-ethoxyethanol 2234.21
    isopentanol 3125.48
    n-heptane 2427.09
    ethyl formate 3774.62
    1,2-dichloroethane 8775.86
    n-hexanol 3402.83
    2-methoxyethanol 3636.42
    isobutyl acetate 3135.14
    tetrachloromethane 3227.02
    n-pentyl acetate 4386.45
    transcutol 7457.48
    n-heptanol 1315.65
    ethylbenzene 1520.47
    MIBK 4133.29
    2-propoxyethanol 3486.04
    tert-butanol 4253.74
    MTBE 6655.27
    2-butoxyethanol 1984.6
    propionic acid 2875.39
    o-xylene 1440.66
    formic acid 311.96
    diethyl ether 9634.4
    m-xylene 1700.57
    p-xylene 2010.89
    chlorobenzene 4324.39
    dimethyl carbonate 1318.14
    n-octane 640.54
    formamide 735.69
    cyclopentanone 12431.59
    2-pentanone 9173.15
    anisole 2352.36
    cyclopentyl methyl ether 7847.32
    gamma-butyrolactone 9788.92
    1-methoxy-2-propanol 3249.39
    pyridine 7405.46
    3-pentanone 6037.71
    furfural 5626.1
    n-dodecane 229.42
    diethylene glycol 1287.3
    diisopropyl ether 3125.99
    tert-amyl alcohol 3138.42
    acetylacetone 7135.17
    n-hexadecane 287.01
    acetophenone 2177.92
    methyl propionate 4924.08
    isopentyl acetate 5837.63
    trichloroethylene 11780.85
    n-nonanol 1127.43
    cyclohexanol 4865.41
    benzyl alcohol 1366.77
    2-ethylhexanol 2661.62
    isooctanol 1172.85
    dipropyl ether 7139.28
    1,2-dichlorobenzene 3639.35
    ethyl lactate 1168.4
    propylene carbonate 4773.18
    n-methylformamide 2990.18
    2-pentanol 3182.44
    n-pentane 2066.64
    1-propoxy-2-propanol 3982.28
    1-methoxy-2-propyl acetate 4046.91
    2-(2-methoxypropoxy) propanol 1202.55
    mesitylene 1215.89
    ε-caprolactone 8131.13
    p-cymene 1113.49
    epichlorohydrin 8439.74
    1,1,1-trichloroethane 9623.04
    2-aminoethanol 731.26
    morpholine-4-carbaldehyde 4107.39
    sulfolane 9080.85
    2,2,4-trimethylpentane 502.62
    2-methyltetrahydrofuran 10477.02
    n-hexyl acetate 4232.91
    isooctane 493.27
    2-(2-butoxyethoxy)ethanol 1935.14
    sec-butyl acetate 3601.59
    tert-butyl acetate 5115.43
    decalin 1049.47
    glycerin 551.47
    diglyme 4685.98
    acrylic acid 1771.38
    isopropyl myristate 1360.36
    n-butyric acid 5786.57
    acetyl acetate 4241.34
    di(2-ethylhexyl) phthalate 734.13
    ethyl propionate 4570.33
    nitromethane 6282.87
    1,2-diethoxyethane 5762.33
    benzonitrile 3196.09
    trioctyl phosphate 682.01
    1-bromopropane 7568.7
    gamma-valerolactone 10031.68
    n-decanol 739.49
    triethyl phosphate 1361.92
    4-methyl-2-pentanol 1562.38
    propionitrile 5634.54
    vinylene carbonate 3790.75
    1,1,2-trichlorotrifluoroethane 4228.69
    DMS 2057.37
    cumene 881.82
    2-octanol 1156.59
    2-hexanone 5846.55
    octyl acetate 1492.82
    limonene 2337.29
    1,2-dimethoxyethane 5916.91
    ethyl orthosilicate 1449.71
    tributyl phosphate 976.49
    diacetone alcohol 3197.0
    N,N-dimethylaniline 1257.73
    acrylonitrile 4671.5
    aniline 2506.81
    1,3-propanediol 1439.89
    bromobenzene 5254.6
    dibromomethane 8484.39
    1,1,2,2-tetrachloroethane 10231.28
    2-methyl-cyclohexyl acetate 2517.13
    tetrabutyl urea 1221.22
    diisobutyl methanol 1694.37
    2-phenylethanol 1564.9
    styrene 2191.11
    dioctyl adipate 1691.91
    dimethyl sulfate 1918.1
    ethyl butyrate 5798.08
    methyl lactate 1175.39
    butyl lactate 2068.81
    diethyl carbonate 2640.88
    propanediol butyl ether 1376.67
    triethyl orthoformate 3201.07
    p-tert-butyltoluene 1078.27
    methyl 4-tert-butylbenzoate 1506.65
    morpholine 8664.28
    tert-butylamine 3333.58
    n-dodecanol 554.19
    dimethoxymethane 4411.8
    ethylene carbonate 4094.14
    cyrene 1059.21
    2-ethoxyethyl acetate 3747.21
    2-ethylhexyl acetate 4864.49
    1,2,4-trichlorobenzene 3431.27
    4-methylpyridine 6621.34
    dibutyl ether 4752.1
    2,6-dimethyl-4-heptanol 1694.37
    DEF 6639.63
    dimethyl isosorbide 2494.57
    tetrachloroethylene 6854.88
    eugenol 1203.77
    triacetin 2520.99
    span 80 1384.79
    1,4-butanediol 561.46
    1,1-dichloroethane 9525.38
    2-methyl-1-pentanol 1919.91
    methyl formate 2137.59
    2-methyl-1-butanol 2629.84
    n-decane 569.93
    butyronitrile 6777.93
    3,7-dimethyl-1-octanol 1404.95
    1-chlorooctane 1822.16
    1-chlorotetradecane 545.74
    n-nonane 712.85
    undecane 328.04
    tert-butylcyclohexane 805.79
    cyclooctane 1539.74
    cyclopentanol 4485.21
    tetrahydropyran 14123.54
    tert-amyl methyl ether 3776.93
    2,5,8-trioxanonane 2381.43
    1-hexene 6067.72
    2-isopropoxyethanol 1818.88
    2,2,2-trifluoroethanol 736.07
    methyl butyrate 6484.17

    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