4,8-Decadienenitrile, 2,2,5,9-tetramethyl-

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  • Identifiers

    CAS number
    58260-78-9

    Molecular formula
    C14H23N

    SMILES
    CC(=CCCC(=CCC(C)(C)C#N)C)C

    Safety labels

  • Odor profile

    Fragrance
    Citrus 70.85%
    Lemon 52.39%
    Herbal 52.13%
    Floral 48.96%
    Fresh 43.92%
    Green 39.72%
    Woody 38.98%
    Sweet 37.87%
    Grapefruit 34.98%
    Aldehydic 34.49%

     

    Flavor
    Woody 39.72%
    Wood 34.07%
    Citrus 29.66%
    Herbal 27.51%
    Balsam 27.23%
    Herb 26.62%
    Diterpene 22.56%
    Oriental 22.4%
    Low 22.05%
    Green 21.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    9.07 (weak base)

    Molecular weight
    205.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    276°C

    Flash point

    • 115.72 ˚C est.

  • Synonyms

    • 58260-78-9
    • 2,2,5,9-Tetramethyl-4,8-decadienenitrile
    • 4,8-Decadienenitrile, 2,2,5,9-tetramethyl-
    • DTXSID1069241
    • EINECS 261-191-6
    • AI3-28395
    • RefChem:508375
    • DTXCID7042352
    • 261-191-6
    • SCHEMBL10546457
    • DB-239411
    • NS00013231
    • 58260-78-9

  • Applications

    Chemical name: 4,8-Decadienenitrile, 2,2,5,9-tetramethyl- (CAS number: 58260-78-9) is typically used as a synthetic intermediate in organic chemistry, providing a branched dienic nitrile building block for the preparation of specialty polymers and copolymers. It can serve as a reactive monomer or crosslinking precursor in coatings and inks formulations. The conjugated diene-nitrile framework makes it of interest as a monomer or intermediate in electronic and optoelectronic materials and related polymer architectures. It is also used as an intermediate in pharmaceutical and agrochemical syntheses in some contexts, and may be evaluated in research settings for other specialty chemical applications, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 173.21
    methanol 125.26
    isopropanol 177.35
    water 0.22
    ethyl acetate 521.35
    n-propanol 187.05
    acetone 388.08
    n-butanol 231.8
    acetonitrile 250.22
    DMF 463.46
    toluene 338.17
    isobutanol 168.3
    1,4-dioxane 522.23
    methyl acetate 404.69
    THF 798.78
    2-butanone 475.29
    n-pentanol 200.08
    sec-butanol 223.71
    n-hexane 165.64
    ethylene glycol 28.41
    NMP 473.42
    cyclohexane 178.45
    DMSO 307.84
    n-butyl acetate 624.29
    n-octanol 247.13
    chloroform 1107.21
    n-propyl acetate 394.57
    acetic acid 175.92
    dichloromethane 803.98
    cyclohexanone 650.35
    propylene glycol 78.66
    isopropyl acetate 437.12
    DMAc 558.37
    2-ethoxyethanol 221.68
    isopentanol 242.62
    n-heptane 151.95
    ethyl formate 238.6
    1,2-dichloroethane 474.92
    n-hexanol 387.98
    2-methoxyethanol 259.41
    isobutyl acetate 340.53
    tetrachloromethane 217.32
    n-pentyl acetate 361.89
    transcutol 995.01
    n-heptanol 235.08
    ethylbenzene 260.51
    MIBK 382.3
    2-propoxyethanol 420.59
    tert-butanol 289.05
    MTBE 432.08
    2-butoxyethanol 326.79
    propionic acid 203.79
    o-xylene 254.12
    formic acid 43.95
    diethyl ether 389.36
    m-xylene 295.43
    p-xylene 341.31
    chlorobenzene 396.35
    dimethyl carbonate 179.06
    n-octane 64.91
    formamide 72.89
    cyclopentanone 666.34
    2-pentanone 469.56
    anisole 419.97
    cyclopentyl methyl ether 492.49
    gamma-butyrolactone 580.19
    1-methoxy-2-propanol 304.5
    pyridine 454.62
    3-pentanone 386.82
    furfural 527.73
    n-dodecane 46.09
    diethylene glycol 193.95
    diisopropyl ether 224.56
    tert-amyl alcohol 302.53
    acetylacetone 535.99
    n-hexadecane 51.9
    acetophenone 407.03
    methyl propionate 346.89
    isopentyl acetate 579.32
    trichloroethylene 955.49
    n-nonanol 226.09
    cyclohexanol 274.43
    benzyl alcohol 237.89
    2-ethylhexanol 332.86
    isooctanol 205.82
    dipropyl ether 462.19
    1,2-dichlorobenzene 413.13
    ethyl lactate 202.56
    propylene carbonate 490.74
    n-methylformamide 159.27
    2-pentanol 232.19
    n-pentane 96.43
    1-propoxy-2-propanol 439.17
    1-methoxy-2-propyl acetate 537.75
    2-(2-methoxypropoxy) propanol 358.87
    mesitylene 221.52
    ε-caprolactone 554.71
    p-cymene 218.96
    epichlorohydrin 621.24
    1,1,1-trichloroethane 709.17
    2-aminoethanol 82.03
    morpholine-4-carbaldehyde 529.51
    sulfolane 610.21
    2,2,4-trimethylpentane 65.48
    2-methyltetrahydrofuran 640.28
    n-hexyl acetate 565.91
    isooctane 60.68
    2-(2-butoxyethoxy)ethanol 447.88
    sec-butyl acetate 372.53
    tert-butyl acetate 525.4
    decalin 117.9
    glycerin 93.25
    diglyme 776.66
    acrylic acid 168.96
    isopropyl myristate 265.78
    n-butyric acid 350.57
    acetyl acetate 396.92
    di(2-ethylhexyl) phthalate 203.97
    ethyl propionate 380.64
    nitromethane 318.09
    1,2-diethoxyethane 520.77
    benzonitrile 342.47
    trioctyl phosphate 162.99
    1-bromopropane 399.99
    gamma-valerolactone 711.63
    n-decanol 175.64
    triethyl phosphate 232.49
    4-methyl-2-pentanol 179.14
    propionitrile 283.3
    vinylene carbonate 427.46
    1,1,2-trichlorotrifluoroethane 448.42
    DMS 362.39
    cumene 206.84
    2-octanol 177.8
    2-hexanone 425.76
    octyl acetate 303.88
    limonene 311.55
    1,2-dimethoxyethane 502.69
    ethyl orthosilicate 233.15
    tributyl phosphate 195.64
    diacetone alcohol 416.37
    N,N-dimethylaniline 318.04
    acrylonitrile 276.29
    aniline 265.97
    1,3-propanediol 124.66
    bromobenzene 482.34
    dibromomethane 577.12
    1,1,2,2-tetrachloroethane 846.11
    2-methyl-cyclohexyl acetate 427.32
    tetrabutyl urea 234.16
    diisobutyl methanol 223.32
    2-phenylethanol 299.74
    styrene 293.12
    dioctyl adipate 339.65
    dimethyl sulfate 241.28
    ethyl butyrate 482.73
    methyl lactate 185.39
    butyl lactate 288.27
    diethyl carbonate 332.51
    propanediol butyl ether 306.69
    triethyl orthoformate 352.47
    p-tert-butyltoluene 227.11
    methyl 4-tert-butylbenzoate 421.33
    morpholine 525.4
    tert-butylamine 226.19
    n-dodecanol 142.16
    dimethoxymethane 314.19
    ethylene carbonate 361.03
    cyrene 311.06
    2-ethoxyethyl acetate 437.17
    2-ethylhexyl acetate 499.19
    1,2,4-trichlorobenzene 463.58
    4-methylpyridine 522.08
    dibutyl ether 389.63
    2,6-dimethyl-4-heptanol 223.32
    DEF 411.27
    dimethyl isosorbide 624.81
    tetrachloroethylene 501.29
    eugenol 342.92
    triacetin 527.73
    span 80 367.64
    1,4-butanediol 69.04
    1,1-dichloroethane 589.83
    2-methyl-1-pentanol 219.92
    methyl formate 142.03
    2-methyl-1-butanol 216.98
    n-decane 78.46
    butyronitrile 344.97
    3,7-dimethyl-1-octanol 274.26
    1-chlorooctane 239.05
    1-chlorotetradecane 108.8
    n-nonane 80.98
    undecane 56.94
    tert-butylcyclohexane 119.25
    cyclooctane 83.12
    cyclopentanol 234.7
    tetrahydropyran 636.21
    tert-amyl methyl ether 362.84
    2,5,8-trioxanonane 527.47
    1-hexene 347.09
    2-isopropoxyethanol 236.51
    2,2,2-trifluoroethanol 77.65
    methyl butyrate 468.42

    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