Octanenitrile, 7-methoxy-3,7-dimethyl-

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  • Identifiers

    CAS number
    69300-17-0

    Molecular formula
    C11H21NO

    SMILES
    CC(CCCC(C)(C)OC)CC#N

    Safety labels

  • Odor profile

    Fragrance
    Floral 75.38%
    Citrus 64.88%
    Fresh 55.78%
    Green 48.28%
    Lily 46.82%
    Sweet 45.57%
    Lemon 45.16%
    Aldehydic 44.47%
    Muguet 41.87%
    Waxy 41.79%

     

    Flavor
    Mild 25.1%
    Woody 22.87%
    Green 21.5%
    Delicate 21.08%
    Leathery 20.86%
    Yeasty 20.74%
    Green pepper 20.09%
    Glue 19.82%
    Bloody 19.81%
    Rose acetate 19.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.77 (neutral)

    Molecular weight
    183.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 93.99 ˚C est.

  • Synonyms

    • 7-Methoxy-3,7-dimethyloctanenitrile
    • Octanenitrile, 7-methoxy-3,7-dimethyl-
    • EINECS 273-961-9
    • 3,7-Dimethyl-7-methoxyoctanonitrile
    • DTXSID80887659
    • RefChem:167790
    • DTXCID201026946
    • 273-961-9
    • 69300-17-0
    • SCHEMBL11296883
    • IUVOEDXVVOJVDB-UHFFFAOYSA-N
    • NS00061846
    • 69300-17-0

  • Applications

    Octanenitrile, 7-methoxy-3,7-dimethyl-, CAS 69300-17-0 is used as a chemical intermediate with applications across industrial and specialty chemistry. In practice, it is commonly evaluated as an intermediate in the synthesis of nitrile-containing specialty chemicals, including fragrance intermediates and functional building blocks for polymers. It can serve as a solvent or reaction medium in various manufacturing processes, and it functions as a building block in polymer/plastics chemistry to access nitrile-containing monomers or modified materials. In coatings, inks, and adhesives formulations, it may act as a reactive intermediate or solvent component. Usage is typically considered within regulated contexts and formulation-specific limits, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1590.62
    methanol 2372.32
    isopropanol 1190.84
    water 15.55
    ethyl acetate 1215.22
    n-propanol 1102.06
    acetone 1258.93
    n-butanol 971.84
    acetonitrile 1089.46
    DMF 1163.03
    toluene 530.61
    isobutanol 740.89
    1,4-dioxane 2154.21
    methyl acetate 945.52
    THF 2079.74
    2-butanone 882.01
    n-pentanol 594.05
    sec-butanol 796.63
    n-hexane 220.71
    ethylene glycol 525.42
    NMP 1036.04
    cyclohexane 622.33
    DMSO 1103.37
    n-butyl acetate 875.74
    n-octanol 404.04
    chloroform 3312.79
    n-propyl acetate 627.79
    acetic acid 1692.47
    dichloromethane 2161.47
    cyclohexanone 1661.12
    propylene glycol 649.01
    isopropyl acetate 730.77
    DMAc 1070.92
    2-ethoxyethanol 817.3
    isopentanol 660.79
    n-heptane 222.78
    ethyl formate 695.01
    1,2-dichloroethane 993.6
    n-hexanol 961.79
    2-methoxyethanol 1303.53
    isobutyl acetate 458.61
    tetrachloromethane 723.31
    n-pentyl acetate 503.29
    transcutol 2485.12
    n-heptanol 384.14
    ethylbenzene 241.15
    MIBK 423.9
    2-propoxyethanol 1117.03
    tert-butanol 1220.75
    MTBE 859.96
    2-butoxyethanol 588.39
    propionic acid 1145.62
    o-xylene 317.51
    formic acid 737.84
    diethyl ether 990.83
    m-xylene 328.99
    p-xylene 373.73
    chlorobenzene 740.27
    dimethyl carbonate 315.12
    n-octane 67.87
    formamide 674.12
    cyclopentanone 1308.41
    2-pentanone 736.36
    anisole 497.67
    cyclopentyl methyl ether 1044.09
    gamma-butyrolactone 1452.51
    1-methoxy-2-propanol 959.62
    pyridine 1224.26
    3-pentanone 616.05
    furfural 1244.36
    n-dodecane 51.64
    diethylene glycol 889.16
    diisopropyl ether 328.43
    tert-amyl alcohol 821.49
    acetylacetone 866.32
    n-hexadecane 58.86
    acetophenone 456.29
    methyl propionate 745.0
    isopentyl acetate 708.24
    trichloroethylene 1921.53
    n-nonanol 336.21
    cyclohexanol 1154.14
    benzyl alcohol 424.9
    2-ethylhexanol 490.83
    isooctanol 277.66
    dipropyl ether 638.04
    1,2-dichlorobenzene 636.92
    ethyl lactate 348.27
    propylene carbonate 931.47
    n-methylformamide 728.29
    2-pentanol 628.3
    n-pentane 210.66
    1-propoxy-2-propanol 805.87
    1-methoxy-2-propyl acetate 792.59
    2-(2-methoxypropoxy) propanol 523.13
    mesitylene 229.87
    ε-caprolactone 1348.8
    p-cymene 202.78
    epichlorohydrin 1234.28
    1,1,1-trichloroethane 1479.68
    2-aminoethanol 811.01
    morpholine-4-carbaldehyde 1286.47
    sulfolane 1265.21
    2,2,4-trimethylpentane 85.04
    2-methyltetrahydrofuran 1546.51
    n-hexyl acetate 725.5
    isooctane 65.04
    2-(2-butoxyethoxy)ethanol 734.41
    sec-butyl acetate 450.28
    tert-butyl acetate 725.34
    decalin 149.64
    glycerin 729.99
    diglyme 1404.53
    acrylic acid 890.1
    isopropyl myristate 271.55
    n-butyric acid 1426.3
    acetyl acetate 916.0
    di(2-ethylhexyl) phthalate 251.49
    ethyl propionate 500.3
    nitromethane 1795.07
    1,2-diethoxyethane 818.73
    benzonitrile 684.67
    trioctyl phosphate 194.86
    1-bromopropane 755.59
    gamma-valerolactone 1781.03
    n-decanol 235.3
    triethyl phosphate 292.69
    4-methyl-2-pentanol 318.31
    propionitrile 826.0
    vinylene carbonate 938.14
    1,1,2-trichlorotrifluoroethane 1244.06
    DMS 540.57
    cumene 170.12
    2-octanol 272.87
    2-hexanone 550.57
    octyl acetate 333.64
    limonene 364.52
    1,2-dimethoxyethane 1191.25
    ethyl orthosilicate 296.88
    tributyl phosphate 246.44
    diacetone alcohol 643.02
    N,N-dimethylaniline 314.77
    acrylonitrile 794.84
    aniline 658.89
    1,3-propanediol 913.93
    bromobenzene 772.62
    dibromomethane 1449.76
    1,1,2,2-tetrachloroethane 1766.38
    2-methyl-cyclohexyl acetate 489.97
    tetrabutyl urea 273.43
    diisobutyl methanol 277.74
    2-phenylethanol 487.81
    styrene 322.24
    dioctyl adipate 389.55
    dimethyl sulfate 430.56
    ethyl butyrate 629.85
    methyl lactate 442.08
    butyl lactate 411.59
    diethyl carbonate 438.77
    propanediol butyl ether 624.9
    triethyl orthoformate 494.62
    p-tert-butyltoluene 213.83
    methyl 4-tert-butylbenzoate 441.08
    morpholine 2092.13
    tert-butylamine 816.49
    n-dodecanol 181.3
    dimethoxymethane 707.63
    ethylene carbonate 889.99
    cyrene 442.72
    2-ethoxyethyl acetate 608.35
    2-ethylhexyl acetate 590.68
    1,2,4-trichlorobenzene 753.84
    4-methylpyridine 1054.75
    dibutyl ether 508.1
    2,6-dimethyl-4-heptanol 277.74
    DEF 766.59
    dimethyl isosorbide 794.29
    tetrachloroethylene 1289.01
    eugenol 404.13
    triacetin 748.88
    span 80 546.73
    1,4-butanediol 402.46
    1,1-dichloroethane 1318.4
    2-methyl-1-pentanol 409.7
    methyl formate 535.4
    2-methyl-1-butanol 582.83
    n-decane 93.71
    butyronitrile 869.39
    3,7-dimethyl-1-octanol 331.99
    1-chlorooctane 277.02
    1-chlorotetradecane 118.37
    n-nonane 98.51
    undecane 65.45
    tert-butylcyclohexane 126.12
    cyclooctane 161.79
    cyclopentanol 1035.7
    tetrahydropyran 2175.31
    tert-amyl methyl ether 559.78
    2,5,8-trioxanonane 900.41
    1-hexene 454.92
    2-isopropoxyethanol 576.25
    2,2,2-trifluoroethanol 620.92
    methyl butyrate 637.48

    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