3-(10-Undecenyloxy)propiononitrile

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  • Identifiers

    CAS number
    63095-34-1

    Molecular formula
    C14H25NO

    SMILES
    C=CCCCCCCCCCOCCC#N

  • Odor profile

    Fragrance
    Fruity 68.07%
    Citrus 57.11%
    Fresh 55.77%
    Floral 53.67%
    Waxy 52.45%
    Fatty 43.1%
    Aldehydic 40.82%
    Sweet 38.94%
    Rose 36.82%
    Orange 34.75%

     

    Flavor
    Waxy 24.83%
    Fatty 22.27%
    Herbal 21.88%
    Floral 21.56%
    Delicate 20.8%
    Slightly waxy 20.62%
    Honeydew 20.49%
    Fresh 20.3%
    Leathery 20.13%
    Mild 20.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    6.03 (neutral)

    Molecular weight
    223.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 136.72 ˚C est.

  • Synonyms

    • Propanenitrile, 3-(10-undecenyloxy)-
    • 3-(10-Undecenyloxy)propiononitrile
    • 63095-34-1
    • BQ4ETM3U4Z
    • EINECS 263-854-5
    • Propanenitrile, 3-(10-undecen-1-yloxy)-
    • DTXSID6069668
    • UNII-BQ4ETM3U4Z
    • SCHEMBL2228366
    • DTXCID4043642
    • AWVSLVUVZWTQDK-UHFFFAOYSA-N
    • DB-217562
    • NS00035291
    • 263-854-5

  • Applications

    3-(10-Undecenyloxy)propiononitrile (CAS 63095-34-1) is typically used as a chemical building block in organic synthesis and as a reactive monomer or functional additive in polymer and coating formulations, leveraging its alkenyl undecyloxy moiety and nitrile group. In polymers and plastics, it can participate in radical or step-growth polymerizations to yield nitrile-containing polymers or act as a crosslinkable component. In coatings and inks, it can serve as a functional monomer or adhesion-promoting additive to improve film formation and interfacial properties. In adhesives, it may function as a co-monomer or coupling component to enhance bonding to substrates. It also serves as an intermediate in industrial manufacturing for the preparation of more complex nitrile-containing specialty chemicals and surface-modifying agents. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 929.64
    methanol 1133.82
    isopropanol 798.54
    water 0.21
    ethyl acetate 1738.29
    n-propanol 812.35
    acetone 3008.59
    n-butanol 691.65
    acetonitrile 1135.65
    DMF 1860.99
    toluene 644.25
    isobutanol 621.33
    1,4-dioxane 2211.24
    methyl acetate 1218.65
    THF 3422.7
    2-butanone 1676.74
    n-pentanol 521.25
    sec-butanol 666.81
    n-hexane 322.63
    ethylene glycol 177.58
    NMP 1573.83
    cyclohexane 1206.41
    DMSO 4622.74
    n-butyl acetate 1145.61
    n-octanol 246.9
    chloroform 3614.44
    n-propyl acetate 1178.18
    acetic acid 1118.55
    dichloromethane 3646.65
    cyclohexanone 2841.1
    propylene glycol 291.14
    isopropyl acetate 994.97
    DMAc 1534.94
    2-ethoxyethanol 825.56
    isopentanol 583.59
    n-heptane 288.66
    ethyl formate 714.59
    1,2-dichloroethane 2620.36
    n-hexanol 569.21
    2-methoxyethanol 1098.2
    isobutyl acetate 662.18
    tetrachloromethane 770.22
    n-pentyl acetate 695.25
    transcutol 2775.3
    n-heptanol 227.05
    ethylbenzene 311.51
    MIBK 768.61
    2-propoxyethanol 818.33
    tert-butanol 960.52
    MTBE 1019.27
    2-butoxyethanol 459.01
    propionic acid 816.78
    o-xylene 351.34
    formic acid 249.49
    diethyl ether 1667.45
    m-xylene 367.62
    p-xylene 394.48
    chlorobenzene 901.73
    dimethyl carbonate 373.19
    n-octane 73.61
    formamide 448.05
    cyclopentanone 2752.45
    2-pentanone 1456.8
    anisole 600.76
    cyclopentyl methyl ether 1760.6
    gamma-butyrolactone 2577.39
    1-methoxy-2-propanol 902.17
    pyridine 1821.69
    3-pentanone 1219.51
    furfural 1547.39
    n-dodecane 37.91
    diethylene glycol 556.67
    diisopropyl ether 459.96
    tert-amyl alcohol 676.06
    acetylacetone 1747.09
    n-hexadecane 46.53
    acetophenone 602.01
    methyl propionate 1094.0
    isopentyl acetate 844.22
    trichloroethylene 3633.6
    n-nonanol 221.76
    cyclohexanol 1118.35
    benzyl alcohol 417.59
    2-ethylhexanol 414.27
    isooctanol 218.38
    dipropyl ether 1020.41
    1,2-dichlorobenzene 846.57
    ethyl lactate 367.34
    propylene carbonate 1174.47
    n-methylformamide 802.02
    2-pentanol 552.9
    n-pentane 284.04
    1-propoxy-2-propanol 742.15
    1-methoxy-2-propyl acetate 867.94
    2-(2-methoxypropoxy) propanol 471.6
    mesitylene 267.35
    ε-caprolactone 1701.53
    p-cymene 222.13
    epichlorohydrin 2399.22
    1,1,1-trichloroethane 2168.8
    2-aminoethanol 348.33
    morpholine-4-carbaldehyde 1356.6
    sulfolane 2969.58
    2,2,4-trimethylpentane 87.41
    2-methyltetrahydrofuran 2367.82
    n-hexyl acetate 751.22
    isooctane 72.12
    2-(2-butoxyethoxy)ethanol 653.75
    sec-butyl acetate 706.78
    tert-butyl acetate 992.58
    decalin 196.17
    glycerin 355.32
    diglyme 1569.85
    acrylic acid 633.52
    isopropyl myristate 271.24
    n-butyric acid 1259.22
    acetyl acetate 1112.45
    di(2-ethylhexyl) phthalate 216.26
    ethyl propionate 865.18
    nitromethane 2324.47
    1,2-diethoxyethane 1286.65
    benzonitrile 683.76
    trioctyl phosphate 168.69
    1-bromopropane 1645.16
    gamma-valerolactone 2469.64
    n-decanol 158.57
    triethyl phosphate 360.25
    4-methyl-2-pentanol 293.57
    propionitrile 853.84
    vinylene carbonate 978.74
    1,1,2-trichlorotrifluoroethane 1588.33
    DMS 572.12
    cumene 195.69
    2-octanol 177.66
    2-hexanone 1023.14
    octyl acetate 318.66
    limonene 424.83
    1,2-dimethoxyethane 1550.84
    ethyl orthosilicate 369.3
    tributyl phosphate 246.76
    diacetone alcohol 765.55
    N,N-dimethylaniline 357.93
    acrylonitrile 847.74
    aniline 657.42
    1,3-propanediol 512.41
    bromobenzene 1087.02
    dibromomethane 2607.71
    1,1,2,2-tetrachloroethane 3120.58
    2-methyl-cyclohexyl acetate 595.48
    tetrabutyl urea 313.34
    diisobutyl methanol 279.38
    2-phenylethanol 374.25
    styrene 443.66
    dioctyl adipate 462.63
    dimethyl sulfate 699.38
    ethyl butyrate 971.47
    methyl lactate 410.44
    butyl lactate 433.91
    diethyl carbonate 575.42
    propanediol butyl ether 429.22
    triethyl orthoformate 662.66
    p-tert-butyltoluene 204.73
    methyl 4-tert-butylbenzoate 449.58
    morpholine 2323.58
    tert-butylamine 651.11
    n-dodecanol 126.88
    dimethoxymethane 1193.87
    ethylene carbonate 968.12
    cyrene 437.59
    2-ethoxyethyl acetate 869.8
    2-ethylhexyl acetate 703.32
    1,2,4-trichlorobenzene 897.87
    4-methylpyridine 1317.69
    dibutyl ether 689.0
    2,6-dimethyl-4-heptanol 279.38
    DEF 1274.25
    dimethyl isosorbide 850.31
    tetrachloroethylene 2244.15
    eugenol 372.6
    triacetin 830.43
    span 80 437.63
    1,4-butanediol 246.9
    1,1-dichloroethane 2215.72
    2-methyl-1-pentanol 398.33
    methyl formate 606.06
    2-methyl-1-butanol 529.38
    n-decane 80.54
    butyronitrile 867.08
    3,7-dimethyl-1-octanol 264.9
    1-chlorooctane 300.01
    1-chlorotetradecane 106.9
    n-nonane 92.09
    undecane 51.73
    tert-butylcyclohexane 130.11
    cyclooctane 262.56
    cyclopentanol 1119.9
    tetrahydropyran 3336.36
    tert-amyl methyl ether 692.91
    2,5,8-trioxanonane 943.53
    1-hexene 655.03
    2-isopropoxyethanol 609.33
    2,2,2-trifluoroethanol 387.85
    methyl butyrate 1185.27

    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