3-Methyldecanenitrile

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  • Identifiers

    CAS number
    85351-05-9

    Molecular formula
    C11H21N

    SMILES
    CCCCCCCC(C)CC#N

    Safety labels

  • Odor profile

    Fragrance
    Citrus 66.72%
    Green 66.03%
    Fresh 55.78%
    Floral 53.97%
    Fatty 53.83%
    Waxy 53.12%
    Aldehydic 48.89%
    Fruity 48.31%
    Metallic 40.85%
    Orange 39.98%

     

    Flavor
    Bland 21.12%
    Delicate 20.77%
    Slightly waxy 19.37%
    Skunky 19.37%
    Terpentine 19.15%
    Diterpene 19.09%
    Leathery 19.01%
    Glue 18.99%
    Oriental 18.93%
    Cedarleaf 18.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.75 (neutral)

    Molecular weight
    167.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point

    • 100.0 ˚C est.

  • Synonyms

    • 3-Methyldecanenitrile
    • 85351-05-9
    • EINECS 286-727-6
    • DTXSID301005820
    • RefChem:94877
    • DTXCID601432698
    • 286-727-6
    • SCHEMBL2575431
    • MIKYASNSDCJESJ-UHFFFAOYSA-N
    • NS00063395
    • 85351-05-9

  • Applications

    3-Methyldecanenitrile (CAS 85351-05-9) is primarily used as a chemical intermediate in organic synthesis, providing a long-chain aliphatic nitrile framework for downstream production of nitrile-containing derivatives such as amines or amides in industrial manufacturing. In fragrance chemistry, it may serve as a precursor for the construction of specialty aroma compounds, contributing to formulations of perfumery ingredients. In the polymer and plastics sector, it can be a building block for nitrile-containing products or a processing intermediate in the production of specialty polymers. In coatings and inks, it can function as a solvent component or processing aid for resin systems. In cleaning formulations, it may act as a non-polar solvent or carrier in certain industrial formulations. Overall, its applications are primarily as an intermediate or processing aid, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10777.51
    methanol 9328.72
    isopropanol 10222.51
    water 0.15
    ethyl acetate 12627.29
    n-propanol 8873.32
    acetone 27258.16
    n-butanol 7944.63
    acetonitrile 11987.07
    DMF 11423.11
    toluene 3734.57
    isobutanol 6394.84
    1,4-dioxane 12446.51
    methyl acetate 7971.06
    THF 22120.16
    2-butanone 13796.59
    n-pentanol 4616.18
    sec-butanol 6539.94
    n-hexane 4279.8
    ethylene glycol 852.08
    NMP 6602.19
    cyclohexane 7159.1
    DMSO 15117.72
    n-butyl acetate 10333.0
    n-octanol 1862.26
    chloroform 14207.02
    n-propyl acetate 7045.58
    acetic acid 5506.92
    dichloromethane 13128.6
    cyclohexanone 21380.76
    propylene glycol 1596.51
    isopropyl acetate 6873.08
    DMAc 4802.0
    2-ethoxyethanol 3895.6
    isopentanol 5793.85
    n-heptane 2676.16
    ethyl formate 5540.89
    1,2-dichloroethane 11213.04
    n-hexanol 6900.45
    2-methoxyethanol 7590.01
    isobutyl acetate 3400.08
    tetrachloromethane 3435.25
    n-pentyl acetate 4215.28
    transcutol 10992.24
    n-heptanol 1832.75
    ethylbenzene 1540.12
    MIBK 5213.47
    2-propoxyethanol 6097.43
    tert-butanol 9087.48
    MTBE 9904.61
    2-butoxyethanol 2551.24
    propionic acid 5503.46
    o-xylene 1451.96
    formic acid 874.4
    diethyl ether 15145.79
    m-xylene 1947.32
    p-xylene 2059.92
    chlorobenzene 4894.45
    dimethyl carbonate 1624.77
    n-octane 635.15
    formamide 1688.23
    cyclopentanone 17781.04
    2-pentanone 13671.78
    anisole 2515.9
    cyclopentyl methyl ether 10759.56
    gamma-butyrolactone 13519.9
    1-methoxy-2-propanol 6164.5
    pyridine 10659.18
    3-pentanone 7910.36
    furfural 6638.25
    n-dodecane 256.5
    diethylene glycol 2691.99
    diisopropyl ether 4019.15
    tert-amyl alcohol 5339.04
    acetylacetone 9880.02
    n-hexadecane 320.85
    acetophenone 2126.15
    methyl propionate 7029.23
    isopentyl acetate 6511.58
    trichloroethylene 13761.92
    n-nonanol 1443.18
    cyclohexanol 8467.33
    benzyl alcohol 1691.82
    2-ethylhexanol 3721.43
    isooctanol 1396.63
    dipropyl ether 8505.56
    1,2-dichlorobenzene 3358.5
    ethyl lactate 1279.53
    propylene carbonate 5898.29
    n-methylformamide 5821.12
    2-pentanol 6235.33
    n-pentane 3078.3
    1-propoxy-2-propanol 5810.04
    1-methoxy-2-propyl acetate 5109.21
    2-(2-methoxypropoxy) propanol 1462.14
    mesitylene 1239.73
    ε-caprolactone 10267.01
    p-cymene 1032.88
    epichlorohydrin 11356.94
    1,1,1-trichloroethane 10963.83
    2-aminoethanol 2110.25
    morpholine-4-carbaldehyde 5601.85
    sulfolane 12203.39
    2,2,4-trimethylpentane 560.47
    2-methyltetrahydrofuran 16204.45
    n-hexyl acetate 4704.35
    isooctane 581.37
    2-(2-butoxyethoxy)ethanol 2510.44
    sec-butyl acetate 3627.7
    tert-butyl acetate 6208.71
    decalin 1107.77
    glycerin 1354.75
    diglyme 5829.62
    acrylic acid 3347.96
    isopropyl myristate 1365.47
    n-butyric acid 10102.83
    acetyl acetate 5201.44
    di(2-ethylhexyl) phthalate 767.97
    ethyl propionate 4653.53
    nitromethane 11267.89
    1,2-diethoxyethane 7068.85
    benzonitrile 3757.46
    trioctyl phosphate 726.6
    1-bromopropane 9791.36
    gamma-valerolactone 14535.48
    n-decanol 958.48
    triethyl phosphate 1153.16
    4-methyl-2-pentanol 2397.34
    propionitrile 9001.13
    vinylene carbonate 4515.03
    1,1,2-trichlorotrifluoroethane 5689.83
    DMS 2221.27
    cumene 793.38
    2-octanol 1422.84
    2-hexanone 7894.73
    octyl acetate 1573.15
    limonene 2474.53
    1,2-dimethoxyethane 8759.63
    ethyl orthosilicate 1236.2
    tributyl phosphate 1017.98
    diacetone alcohol 4305.44
    N,N-dimethylaniline 1214.47
    acrylonitrile 7636.59
    aniline 3476.34
    1,3-propanediol 3766.73
    bromobenzene 5584.28
    dibromomethane 10575.93
    1,1,2,2-tetrachloroethane 11633.46
    2-methyl-cyclohexyl acetate 2490.86
    tetrabutyl urea 1225.53
    diisobutyl methanol 1979.79
    2-phenylethanol 2091.13
    styrene 2321.79
    dioctyl adipate 1647.12
    dimethyl sulfate 2327.43
    ethyl butyrate 5739.53
    methyl lactate 1645.6
    butyl lactate 2076.02
    diethyl carbonate 2403.4
    propanediol butyl ether 1967.28
    triethyl orthoformate 2840.7
    p-tert-butyltoluene 1024.49
    methyl 4-tert-butylbenzoate 1478.24
    morpholine 14715.62
    tert-butylamine 6531.99
    n-dodecanol 712.84
    dimethoxymethane 6871.79
    ethylene carbonate 4964.01
    cyrene 1156.53
    2-ethoxyethyl acetate 4023.8
    2-ethylhexyl acetate 5196.74
    1,2,4-trichlorobenzene 3255.26
    4-methylpyridine 8603.65
    dibutyl ether 5277.32
    2,6-dimethyl-4-heptanol 1979.79
    DEF 8358.84
    dimethyl isosorbide 2731.98
    tetrachloroethylene 7851.23
    eugenol 1232.43
    triacetin 2522.92
    span 80 1713.48
    1,4-butanediol 1276.32
    1,1-dichloroethane 13278.33
    2-methyl-1-pentanol 3007.12
    methyl formate 3791.63
    2-methyl-1-butanol 4774.48
    n-decane 603.14
    butyronitrile 10672.52
    3,7-dimethyl-1-octanol 1745.52
    1-chlorooctane 1930.52
    1-chlorotetradecane 588.0
    n-nonane 752.5
    undecane 366.4
    tert-butylcyclohexane 867.11
    cyclooctane 1728.55
    cyclopentanol 8341.45
    tetrahydropyran 23417.04
    tert-amyl methyl ether 4840.77
    2,5,8-trioxanonane 2872.32
    1-hexene 8661.68
    2-isopropoxyethanol 2691.35
    2,2,2-trifluoroethanol 1247.37
    methyl butyrate 7013.57

    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