3,12-Tridecadienenitrile

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  • Identifiers

    CAS number
    134769-33-8

    Molecular formula
    C13H21N

    SMILES
    C=CCCCCCCCC=CCC#N

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Citrus 69.21%
    Fresh 60.51%
    Floral 56.16%
    Aldehydic 53.76%
    Waxy 51.18%
    Sweet 47.84%
    Fruity 44.06%
    Green 43.85%
    Fatty 40.89%
    Orange 39.59%

     

    Flavor
    Oriental 19.54%
    Diterpene 18.86%
    Delicate 18.84%
    Low 18.79%
    Terpentine 18.54%
    Nitrile 18.54%
    Faint 18.18%
    Slightly waxy 17.78%
    Skunky 17.69%
    Opoponax 17.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    6.67 (neutral)

    Molecular weight
    191.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point

    • 132.99 ˚C est.

  • Synonyms

    • 3,12-Tridecadienenitrile
    • 134769-33-8
    • TRIDECA-3,12-DIENENITRILE
    • DTXSID1073107
    • (3E)-trideca-3,12-dienenitrile
    • tangerine nitrile
    • SCHEMBL196218
    • DTXCID1034260
    • DBWSGRFEGVADLQ-UHFFFAOYSA-N
    • 639-057-7

  • Applications

    3,12-Tridecadienenitrile, CAS 134769-33-8, is primarily used as an organic synthesis intermediate in the production of specialty chemicals. It can act as a nitrile-containing monomer or building block for high-performance polymers. In the polymers/plastics field, it may participate as a monomer or precursor for nitrile-containing resins and advanced polymers. In coatings and inks, the compound can be used as a reactive component or precursor to prepare resin systems with enhanced heat resistance and durability. In adhesives, it serves as a reactive intermediate to form nitrile-containing polymer networks. In industrial manufacturing, it provides a route to synthesize a range of complex organic compounds. It is also evaluated for electronics-related and high-temperature polymer applications due to its ability to form polyene nitrile chains. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 685.7
    methanol 706.09
    isopropanol 586.37
    water 0.04
    ethyl acetate 1590.94
    n-propanol 604.9
    acetone 3090.12
    n-butanol 537.87
    acetonitrile 894.63
    DMF 2003.53
    toluene 711.87
    isobutanol 453.59
    1,4-dioxane 1988.68
    methyl acetate 1085.49
    THF 3930.5
    2-butanone 1765.12
    n-pentanol 404.34
    sec-butanol 498.69
    n-hexane 396.71
    ethylene glycol 98.53
    NMP 1609.27
    cyclohexane 1048.39
    DMSO 4078.45
    n-butyl acetate 1203.47
    n-octanol 211.91
    chloroform 2638.55
    n-propyl acetate 972.0
    acetic acid 671.68
    dichloromethane 2729.81
    cyclohexanone 2728.99
    propylene glycol 208.42
    isopropyl acetate 890.56
    DMAc 1374.55
    2-ethoxyethanol 556.33
    isopentanol 439.4
    n-heptane 314.82
    ethyl formate 565.62
    1,2-dichloroethane 2247.66
    n-hexanol 558.6
    2-methoxyethanol 873.35
    isobutyl acetate 566.67
    tetrachloromethane 533.61
    n-pentyl acetate 589.51
    transcutol 2417.46
    n-heptanol 196.53
    ethylbenzene 286.4
    MIBK 706.77
    2-propoxyethanol 759.57
    tert-butanol 724.85
    MTBE 975.65
    2-butoxyethanol 370.0
    propionic acid 598.24
    o-xylene 309.41
    formic acid 110.22
    diethyl ether 1629.95
    m-xylene 366.62
    p-xylene 344.27
    chlorobenzene 884.07
    dimethyl carbonate 371.57
    n-octane 76.43
    formamide 228.26
    cyclopentanone 3064.94
    2-pentanone 1584.0
    anisole 532.88
    cyclopentyl methyl ether 1726.33
    gamma-butyrolactone 2494.6
    1-methoxy-2-propanol 766.51
    pyridine 1771.9
    3-pentanone 1244.22
    furfural 1365.34
    n-dodecane 37.57
    diethylene glycol 419.04
    diisopropyl ether 474.77
    tert-amyl alcohol 497.4
    acetylacetone 1710.41
    n-hexadecane 46.43
    acetophenone 500.21
    methyl propionate 1085.1
    isopentyl acetate 844.84
    trichloroethylene 3083.78
    n-nonanol 191.0
    cyclohexanol 791.42
    benzyl alcohol 314.7
    2-ethylhexanol 402.95
    isooctanol 179.72
    dipropyl ether 1141.86
    1,2-dichlorobenzene 731.98
    ethyl lactate 269.76
    propylene carbonate 1038.91
    n-methylformamide 694.94
    2-pentanol 445.08
    n-pentane 306.18
    1-propoxy-2-propanol 683.69
    1-methoxy-2-propyl acetate 834.9
    2-(2-methoxypropoxy) propanol 378.08
    mesitylene 251.39
    ε-caprolactone 1456.53
    p-cymene 195.5
    epichlorohydrin 2224.68
    1,1,1-trichloroethane 1751.89
    2-aminoethanol 214.1
    morpholine-4-carbaldehyde 1201.29
    sulfolane 2839.49
    2,2,4-trimethylpentane 77.88
    2-methyltetrahydrofuran 2348.42
    n-hexyl acetate 636.72
    isooctane 74.46
    2-(2-butoxyethoxy)ethanol 540.72
    sec-butyl acetate 577.14
    tert-butyl acetate 915.45
    decalin 175.56
    glycerin 227.12
    diglyme 1285.2
    acrylic acid 453.96
    isopropyl myristate 248.84
    n-butyric acid 930.41
    acetyl acetate 889.46
    di(2-ethylhexyl) phthalate 174.26
    ethyl propionate 736.07
    nitromethane 1599.17
    1,2-diethoxyethane 1241.78
    benzonitrile 559.03
    trioctyl phosphate 145.39
    1-bromopropane 1479.11
    gamma-valerolactone 2213.33
    n-decanol 141.59
    triethyl phosphate 291.98
    4-methyl-2-pentanol 237.13
    propionitrile 759.08
    vinylene carbonate 805.66
    1,1,2-trichlorotrifluoroethane 1195.55
    DMS 516.22
    cumene 164.66
    2-octanol 151.62
    2-hexanone 1002.71
    octyl acetate 284.52
    limonene 386.6
    1,2-dimethoxyethane 1239.92
    ethyl orthosilicate 304.73
    tributyl phosphate 199.0
    diacetone alcohol 676.52
    N,N-dimethylaniline 301.23
    acrylonitrile 756.98
    aniline 585.57
    1,3-propanediol 341.18
    bromobenzene 1101.32
    dibromomethane 2046.27
    1,1,2,2-tetrachloroethane 2436.59
    2-methyl-cyclohexyl acetate 509.93
    tetrabutyl urea 262.22
    diisobutyl methanol 269.43
    2-phenylethanol 342.68
    styrene 427.14
    dioctyl adipate 365.69
    dimethyl sulfate 679.82
    ethyl butyrate 900.07
    methyl lactate 343.3
    butyl lactate 344.1
    diethyl carbonate 485.67
    propanediol butyl ether 328.8
    triethyl orthoformate 570.0
    p-tert-butyltoluene 185.45
    methyl 4-tert-butylbenzoate 350.94
    morpholine 2171.94
    tert-butylamine 501.71
    n-dodecanol 114.51
    dimethoxymethane 1364.58
    ethylene carbonate 765.52
    cyrene 352.01
    2-ethoxyethyl acetate 724.87
    2-ethylhexyl acetate 703.03
    1,2,4-trichlorobenzene 781.34
    4-methylpyridine 1327.71
    dibutyl ether 675.4
    2,6-dimethyl-4-heptanol 269.43
    DEF 1247.96
    dimethyl isosorbide 741.72
    tetrachloroethylene 1687.72
    eugenol 299.18
    triacetin 620.95
    span 80 360.48
    1,4-butanediol 147.09
    1,1-dichloroethane 1876.49
    2-methyl-1-pentanol 307.65
    methyl formate 537.2
    2-methyl-1-butanol 393.57
    n-decane 79.25
    butyronitrile 789.35
    3,7-dimethyl-1-octanol 240.35
    1-chlorooctane 276.47
    1-chlorotetradecane 99.51
    n-nonane 90.97
    undecane 51.4
    tert-butylcyclohexane 123.81
    cyclooctane 262.93
    cyclopentanol 868.59
    tetrahydropyran 3018.08
    tert-amyl methyl ether 607.59
    2,5,8-trioxanonane 769.56
    1-hexene 791.9
    2-isopropoxyethanol 433.47
    2,2,2-trifluoroethanol 197.51
    methyl butyrate 990.68

    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