2-Amino-2,4-dimethylpentanenitrile

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  • Identifiers

    CAS number
    26842-43-3

    Molecular formula
    C7H14N2

    SMILES
    CC(C)CC(C)(C#N)N

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 32.96%
    Fishy 30.18%
    Woody 29.79%
    Citrus 28.63%
    Mint 28.28%
    Cooling 27.16%
    Animal 24.6%
    Grapefruit 22.5%
    Dry 22.42%
    Spicy 18.46%

     

    Flavor
    Bland 20.53%
    Bloody 18.79%
    Bitter 18.58%
    Glue 18.46%
    Nitrile 17.93%
    Skunky 17.87%
    Yeasty 17.83%
    Mild 17.72%
    Cedarleaf 17.54%
    Oriental 17.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.29 (neutral)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 75.53 ˚C est.

  • Synonyms

    • 2-Amino-2,4-dimethylpentanenitrile
    • 26842-43-3
    • Mibkan
    • 2-Amino-2,4-dimethylvaleronitrile
    • Vazo 52AN
    • Pentanenitrile, 2-amino-2,4-dimethyl-
    • EINECS 248-039-4
    • Valeronitrile, 2-amino-2,4-dimethyl-
    • DTXSID7044899
    • UNII-M1687739RI
    • M1687739RI
    • DTXCID5024899
    • 2-amino-2,4-dimethylpentanonitrile
    • MFCD01938367
    • SCHEMBL7787399
    • CHEMBL3186941
    • 2,4-dimethyl-2-aminopentanenitrile
    • Tox21_301813
    • AKOS000150859
    • AKOS022474785
    • NCGC00256239-01
    • CAS-26842-43-3
    • CS-0450540
    • NS00028208
    • 2-AMINO-2,4-DIMETHYL-PENTANE NITRILE
    • EN300-55622
    • Q27283338

  • Applications

    2-Amino-2,4-dimethylpentanenitrile is primarily used as an organic synthesis intermediate. In pharmaceutical development it is commonly evaluated as a chiral building block for the preparation of amino acid derivatives and other nitrogen-containing drug intermediates. In agrochemical research it may serve as a precursor to functionalized amines used in active compounds. In industrial manufacturing it provides a versatile nitrile-bearing building block that enables downstream transformations such as reduction, acylation, and coupling to access diverse molecular scaffolds. It is typically used under controlled conditions and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.98
    methanol 292.42
    isopropanol 57.58
    water 13.46
    ethyl acetate 58.79
    n-propanol 78.0
    acetone 98.09
    n-butanol 65.19
    acetonitrile 75.03
    DMF 91.99
    toluene 24.45
    isobutanol 52.93
    1,4-dioxane 110.59
    methyl acetate 69.83
    THF 194.62
    2-butanone 74.33
    n-pentanol 42.26
    sec-butanol 51.13
    n-hexane 11.39
    ethylene glycol 80.82
    NMP 207.09
    cyclohexane 15.16
    DMSO 137.06
    n-butyl acetate 120.16
    n-octanol 50.65
    chloroform 128.87
    n-propyl acetate 47.2
    acetic acid 248.62
    dichloromethane 86.59
    cyclohexanone 144.05
    propylene glycol 68.9
    isopropyl acetate 44.94
    DMAc 106.63
    2-ethoxyethanol 65.41
    isopentanol 49.06
    n-heptane 17.53
    ethyl formate 68.54
    1,2-dichloroethane 55.78
    n-hexanol 131.03
    2-methoxyethanol 117.74
    isobutyl acetate 43.57
    tetrachloromethane 37.91
    n-pentyl acetate 58.78
    transcutol 192.84
    n-heptanol 59.19
    ethylbenzene 14.0
    MIBK 40.78
    2-propoxyethanol 161.68
    tert-butanol 76.97
    MTBE 59.45
    2-butoxyethanol 85.24
    propionic acid 124.46
    o-xylene 22.84
    formic acid 177.22
    diethyl ether 45.87
    m-xylene 22.93
    p-xylene 23.57
    chlorobenzene 50.86
    dimethyl carbonate 31.28
    n-octane 5.81
    formamide 86.27
    cyclopentanone 171.28
    2-pentanone 51.88
    anisole 39.06
    cyclopentyl methyl ether 81.7
    gamma-butyrolactone 214.97
    1-methoxy-2-propanol 68.74
    pyridine 70.96
    3-pentanone 49.35
    furfural 197.66
    n-dodecane 4.76
    diethylene glycol 145.05
    diisopropyl ether 20.24
    tert-amyl alcohol 62.63
    acetylacetone 78.64
    n-hexadecane 5.11
    acetophenone 48.9
    methyl propionate 49.94
    isopentyl acetate 102.64
    trichloroethylene 120.78
    n-nonanol 43.26
    cyclohexanol 67.9
    benzyl alcohol 40.84
    2-ethylhexanol 71.82
    isooctanol 42.06
    dipropyl ether 58.46
    1,2-dichlorobenzene 54.94
    ethyl lactate 41.59
    propylene carbonate 140.24
    n-methylformamide 87.01
    2-pentanol 35.72
    n-pentane 9.77
    1-propoxy-2-propanol 111.22
    1-methoxy-2-propyl acetate 103.44
    2-(2-methoxypropoxy) propanol 83.7
    mesitylene 18.49
    ε-caprolactone 135.28
    p-cymene 30.38
    epichlorohydrin 116.85
    1,1,1-trichloroethane 74.04
    2-aminoethanol 93.49
    morpholine-4-carbaldehyde 150.86
    sulfolane 265.21
    2,2,4-trimethylpentane 8.07
    2-methyltetrahydrofuran 127.18
    n-hexyl acetate 82.69
    isooctane 6.14
    2-(2-butoxyethoxy)ethanol 105.0
    sec-butyl acetate 34.98
    tert-butyl acetate 63.08
    decalin 8.48
    glycerin 113.29
    diglyme 157.12
    acrylic acid 136.29
    isopropyl myristate 36.06
    n-butyric acid 126.42
    acetyl acetate 66.59
    di(2-ethylhexyl) phthalate 51.92
    ethyl propionate 40.03
    nitromethane 201.66
    1,2-diethoxyethane 61.05
    benzonitrile 58.38
    trioctyl phosphate 41.15
    1-bromopropane 36.58
    gamma-valerolactone 197.73
    n-decanol 32.78
    triethyl phosphate 44.55
    4-methyl-2-pentanol 26.18
    propionitrile 55.63
    vinylene carbonate 118.1
    1,1,2-trichlorotrifluoroethane 158.99
    DMS 64.78
    cumene 15.34
    2-octanol 34.61
    2-hexanone 50.75
    octyl acetate 50.01
    limonene 47.85
    1,2-dimethoxyethane 91.85
    ethyl orthosilicate 44.18
    tributyl phosphate 47.9
    diacetone alcohol 72.01
    N,N-dimethylaniline 32.58
    acrylonitrile 67.7
    aniline 42.22
    1,3-propanediol 82.28
    bromobenzene 43.33
    dibromomethane 64.04
    1,1,2,2-tetrachloroethane 106.38
    2-methyl-cyclohexyl acetate 79.24
    tetrabutyl urea 52.2
    diisobutyl methanol 38.22
    2-phenylethanol 72.64
    styrene 16.27
    dioctyl adipate 57.02
    dimethyl sulfate 62.76
    ethyl butyrate 69.18
    methyl lactate 53.01
    butyl lactate 65.33
    diethyl carbonate 50.43
    propanediol butyl ether 87.41
    triethyl orthoformate 58.58
    p-tert-butyltoluene 32.46
    methyl 4-tert-butylbenzoate 74.97
    morpholine 106.24
    tert-butylamine 50.78
    n-dodecanol 26.4
    dimethoxymethane 53.57
    ethylene carbonate 93.93
    cyrene 89.21
    2-ethoxyethyl acetate 71.7
    2-ethylhexyl acetate 85.16
    1,2,4-trichlorobenzene 75.61
    4-methylpyridine 67.64
    dibutyl ether 36.17
    2,6-dimethyl-4-heptanol 38.22
    DEF 55.78
    dimethyl isosorbide 149.69
    tetrachloroethylene 90.06
    eugenol 73.11
    triacetin 89.42
    span 80 92.4
    1,4-butanediol 42.74
    1,1-dichloroethane 54.06
    2-methyl-1-pentanol 37.36
    methyl formate 81.32
    2-methyl-1-butanol 48.35
    n-decane 7.59
    butyronitrile 57.77
    3,7-dimethyl-1-octanol 48.74
    1-chlorooctane 27.89
    1-chlorotetradecane 12.72
    n-nonane 7.47
    undecane 5.75
    tert-butylcyclohexane 9.57
    cyclooctane 6.64
    cyclopentanol 84.39
    tetrahydropyran 96.94
    tert-amyl methyl ether 47.59
    2,5,8-trioxanonane 123.37
    1-hexene 22.65
    2-isopropoxyethanol 49.48
    2,2,2-trifluoroethanol 103.13
    methyl butyrate 54.44

    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