2-Methyldecanenitrile

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  • Identifiers

    CAS number
    69300-15-8

    Molecular formula
    C11H21N

    SMILES
    CCCCCCCCC(C)C#N

  • Odor profile

    Fragrance
    Fruity 59.25%
    Citrus 57.62%
    Green 55.96%
    Floral 53.49%
    Fresh 47.54%
    Waxy 45.14%
    Fatty 42.95%
    Aldehydic 38.57%
    Metallic 38.03%
    Orange 32.65%

     

    Flavor
    Bland 22.08%
    Delicate 20.46%
    Slightly waxy 19.21%
    Skunky 19.14%
    Diterpene 18.96%
    Oriental 18.88%
    Terpentine 18.84%
    Low 18.73%
    Cedarleaf 18.72%
    Nitrile 18.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    7.87 (neutral)

    Molecular weight
    167.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 99.27 ˚C est.

  • Synonyms

    • 2-Methyldecanenitrile
    • Frutonile
    • 69300-15-8
    • Decanenitrile, 2-methyl-
    • EINECS 273-960-3
    • DTXSID20867819
    • Decanenitrile,2-methyl-
    • peach nitrile
    • SCHEMBL196200
    • DTXCID40815973
    • XPCSGXMQGQGBKU-UHFFFAOYSA-N
    • AKOS006274425
    • AS-87794
    • CS-0810616
    • NS00012877
    • 273-960-3

  • Applications

    2-Methyldecanenitrile (CAS number: 69300-15-8) is an aliphatic nitrile primarily used as an organic-synthesis intermediate, enabling the preparation of longer-chain amines and other nitriles; it is used as a nonpolar solvent or diluent in industrial processing; it serves as a building block for specialty polymers and plastics, as well as a solvent or processing aid for coatings, inks, and adhesives formulations; it is also a precursor in the synthesis of lubricants and plasticizers; and it may be evaluated for pharmaceutical and agrochemical synthesis, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8195.2
    methanol 7430.97
    isopropanol 7999.11
    water 0.13
    ethyl acetate 13152.76
    n-propanol 7374.18
    acetone 22802.73
    n-butanol 6629.65
    acetonitrile 11556.24
    DMF 10664.47
    toluene 3779.65
    isobutanol 5456.91
    1,4-dioxane 10599.46
    methyl acetate 7832.54
    THF 17349.48
    2-butanone 13004.52
    n-pentanol 4043.35
    sec-butanol 5836.0
    n-hexane 4369.21
    ethylene glycol 594.23
    NMP 6283.95
    cyclohexane 6123.07
    DMSO 12016.29
    n-butyl acetate 12473.82
    n-octanol 1947.9
    chloroform 14511.91
    n-propyl acetate 7990.21
    acetic acid 4484.81
    dichloromethane 14007.94
    cyclohexanone 19464.05
    propylene glycol 1144.85
    isopropyl acetate 7243.58
    DMAc 4899.85
    2-ethoxyethanol 3581.71
    isopentanol 5114.31
    n-heptane 2787.13
    ethyl formate 5858.28
    1,2-dichloroethane 10969.72
    n-hexanol 6072.41
    2-methoxyethanol 6416.71
    isobutyl acetate 3847.07
    tetrachloromethane 3867.17
    n-pentyl acetate 5145.84
    transcutol 10730.52
    n-heptanol 1933.37
    ethylbenzene 1782.05
    MIBK 5325.05
    2-propoxyethanol 5573.47
    tert-butanol 7603.27
    MTBE 9442.48
    2-butoxyethanol 2791.5
    propionic acid 5007.16
    o-xylene 1618.68
    formic acid 736.69
    diethyl ether 14809.7
    m-xylene 2037.96
    p-xylene 2434.39
    chlorobenzene 5356.25
    dimethyl carbonate 1711.16
    n-octane 740.95
    formamide 1475.16
    cyclopentanone 15714.52
    2-pentanone 13243.1
    anisole 2879.62
    cyclopentyl methyl ether 9532.61
    gamma-butyrolactone 12650.3
    1-methoxy-2-propanol 5432.44
    pyridine 10021.67
    3-pentanone 7728.05
    furfural 7188.37
    n-dodecane 276.44
    diethylene glycol 2234.19
    diisopropyl ether 4099.53
    tert-amyl alcohol 5019.49
    acetylacetone 9618.81
    n-hexadecane 342.14
    acetophenone 2584.42
    methyl propionate 6817.39
    isopentyl acetate 7708.46
    trichloroethylene 14547.23
    n-nonanol 1543.88
    cyclohexanol 7072.69
    benzyl alcohol 1841.92
    2-ethylhexanol 3866.46
    isooctanol 1559.16
    dipropyl ether 8972.88
    1,2-dichlorobenzene 4088.89
    ethyl lactate 1464.49
    propylene carbonate 6119.03
    n-methylformamide 5429.03
    2-pentanol 5423.37
    n-pentane 2885.49
    1-propoxy-2-propanol 5892.9
    1-methoxy-2-propyl acetate 5225.83
    2-(2-methoxypropoxy) propanol 1496.71
    mesitylene 1371.15
    ε-caprolactone 10370.5
    p-cymene 1248.6
    epichlorohydrin 10625.33
    1,1,1-trichloroethane 11839.68
    2-aminoethanol 1623.93
    morpholine-4-carbaldehyde 5510.85
    sulfolane 11108.57
    2,2,4-trimethylpentane 610.77
    2-methyltetrahydrofuran 13903.78
    n-hexyl acetate 5179.97
    isooctane 624.99
    2-(2-butoxyethoxy)ethanol 2588.28
    sec-butyl acetate 4237.31
    tert-butyl acetate 6314.65
    decalin 1158.32
    glycerin 1099.3
    diglyme 6076.6
    acrylic acid 3108.71
    isopropyl myristate 1536.4
    n-butyric acid 9388.54
    acetyl acetate 5389.89
    di(2-ethylhexyl) phthalate 842.92
    ethyl propionate 5392.61
    nitromethane 10251.92
    1,2-diethoxyethane 7683.94
    benzonitrile 4369.42
    trioctyl phosphate 811.6
    1-bromopropane 9860.33
    gamma-valerolactone 13518.66
    n-decanol 1004.4
    triethyl phosphate 1400.64
    4-methyl-2-pentanol 2275.73
    propionitrile 9270.31
    vinylene carbonate 5018.63
    1,1,2-trichlorotrifluoroethane 5562.41
    DMS 2440.57
    cumene 992.66
    2-octanol 1576.61
    2-hexanone 8072.52
    octyl acetate 1772.21
    limonene 2666.21
    1,2-dimethoxyethane 8565.24
    ethyl orthosilicate 1517.95
    tributyl phosphate 1156.35
    diacetone alcohol 4159.11
    N,N-dimethylaniline 1445.56
    acrylonitrile 7896.43
    aniline 3421.49
    1,3-propanediol 2977.75
    bromobenzene 6283.62
    dibromomethane 10991.01
    1,1,2,2-tetrachloroethane 12141.13
    2-methyl-cyclohexyl acetate 2774.37
    tetrabutyl urea 1422.37
    diisobutyl methanol 2137.76
    2-phenylethanol 2200.9
    styrene 2713.01
    dioctyl adipate 1863.12
    dimethyl sulfate 2339.69
    ethyl butyrate 7038.52
    methyl lactate 1628.78
    butyl lactate 2527.62
    diethyl carbonate 2990.18
    propanediol butyl ether 1977.58
    triethyl orthoformate 3463.09
    p-tert-butyltoluene 1198.22
    methyl 4-tert-butylbenzoate 1648.8
    morpholine 12490.71
    tert-butylamine 5664.59
    n-dodecanol 747.42
    dimethoxymethane 6393.97
    ethylene carbonate 5331.87
    cyrene 1203.01
    2-ethoxyethyl acetate 4547.5
    2-ethylhexyl acetate 6125.6
    1,2,4-trichlorobenzene 3793.73
    4-methylpyridine 9078.05
    dibutyl ether 5836.52
    2,6-dimethyl-4-heptanol 2137.76
    DEF 9046.55
    dimethyl isosorbide 2859.52
    tetrachloroethylene 8430.74
    eugenol 1414.68
    triacetin 2814.21
    span 80 1745.75
    1,4-butanediol 1077.77
    1,1-dichloroethane 13175.82
    2-methyl-1-pentanol 2999.42
    methyl formate 3722.27
    2-methyl-1-butanol 4341.92
    n-decane 670.03
    butyronitrile 11150.1
    3,7-dimethyl-1-octanol 1872.69
    1-chlorooctane 2133.41
    1-chlorotetradecane 638.08
    n-nonane 838.3
    undecane 399.02
    tert-butylcyclohexane 954.38
    cyclooctane 1611.47
    cyclopentanol 6751.02
    tetrahydropyran 19388.01
    tert-amyl methyl ether 4937.16
    2,5,8-trioxanonane 2937.71
    1-hexene 9203.35
    2-isopropoxyethanol 2665.29
    2,2,2-trifluoroethanol 1203.96
    methyl butyrate 8027.41

    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