Deca-1,5,9-triene

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  • Identifiers

    CAS number
    13393-64-1

    Molecular formula
    C10H16

    SMILES
    C=CCC/C=C/CCC=C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 54.1%
    Citrus 53.43%
    Herbal 48.49%
    Gassy 44.72%
    Fresh 32.59%
    Fatty 30.29%
    Oily 29.61%
    Woody 27.41%
    Fishy 26.29%
    Waxy 24.94%

     

    Flavor
    Oriental 18.2%
    Pumpkin 17.65%
    Diterpene 17.02%
    Low 16.96%
    Nitrile 16.87%
    Biscuit 16.78%
    Rotten 16.57%
    Tar 16.53%
    Delicate 16.48%
    Glue 16.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.92 (neutral)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    164°C

    Flash point

    • 50.69 ˚C est.

  • Synonyms

    • 1,5,9-Decatriene
    • 13393-64-1
    • Deca-1,5,9-triene
    • EINECS 236-474-2
    • 43LKX63VU7
    • DTXSID901033944
    • RefChem:585270
    • DTXCID601518686
    • 236-474-2
    • (5E)-deca-1,5,9-triene
    • MFCD00055625
    • (5Z)-1,5,9-Decatriene
    • E-1,5,9-Decatriene
    • UNII-43LKX63VU7
    • SCHEMBL441435
    • orb1987310
    • (5E)-1,5,9-Decatriene #
    • 1,5,9-Decatriene, cis + trans
    • AKOS015913884
    • AKOS040744759
    • BS-22673
    • SY048924
    • D1993
    • D89970
    • 13393-64-1

  • Applications

    Deca-1,5,9-triene (CAS 13393-64-1) is primarily used as an organic-synthesis intermediate and serves as a building block in research for polyene-containing materials; it may function as a precursor in polymer and plastics chemistry to prepare polyene-based polymers; it can be used as a precursor in specialty coatings and inks formulations; in electronics research, it is examined as a polyene building block for organic semiconductor materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 143.14
    methanol 73.11
    isopropanol 155.25
    water 0.01
    ethyl acetate 459.67
    n-propanol 176.82
    acetone 341.24
    n-butanol 258.09
    acetonitrile 131.88
    DMF 225.63
    toluene 454.23
    isobutanol 153.41
    1,4-dioxane 701.33
    methyl acetate 246.98
    THF 1700.73
    2-butanone 395.01
    n-pentanol 181.74
    sec-butanol 231.6
    n-hexane 867.01
    ethylene glycol 11.11
    NMP 353.25
    cyclohexane 1204.12
    DMSO 374.26
    n-butyl acetate 1002.49
    n-octanol 161.89
    chloroform 963.58
    n-propyl acetate 372.81
    acetic acid 90.43
    dichloromethane 854.34
    cyclohexanone 749.57
    propylene glycol 34.28
    isopropyl acetate 337.02
    DMAc 219.32
    2-ethoxyethanol 148.51
    isopentanol 255.42
    n-heptane 1257.76
    ethyl formate 122.85
    1,2-dichloroethane 684.81
    n-hexanol 491.4
    2-methoxyethanol 176.65
    isobutyl acetate 282.17
    tetrachloromethane 283.33
    n-pentyl acetate 301.3
    transcutol 811.06
    n-heptanol 162.24
    ethylbenzene 264.68
    MIBK 320.14
    2-propoxyethanol 406.38
    tert-butanol 308.09
    MTBE 620.62
    2-butoxyethanol 188.55
    propionic acid 109.56
    o-xylene 254.96
    formic acid 7.54
    diethyl ether 908.52
    m-xylene 276.08
    p-xylene 294.52
    chlorobenzene 364.46
    dimethyl carbonate 71.64
    n-octane 236.73
    formamide 13.33
    cyclopentanone 748.75
    2-pentanone 468.44
    anisole 291.35
    cyclopentyl methyl ether 947.48
    gamma-butyrolactone 535.01
    1-methoxy-2-propanol 207.93
    pyridine 570.92
    3-pentanone 373.2
    furfural 345.55
    n-dodecane 86.62
    diethylene glycol 118.98
    diisopropyl ether 373.65
    tert-amyl alcohol 319.07
    acetylacetone 351.48
    n-hexadecane 105.12
    acetophenone 228.51
    methyl propionate 245.76
    isopentyl acetate 699.9
    trichloroethylene 868.6
    n-nonanol 163.07
    cyclohexanol 384.91
    benzyl alcohol 133.31
    2-ethylhexanol 572.11
    isooctanol 160.88
    dipropyl ether 1668.05
    1,2-dichlorobenzene 323.63
    ethyl lactate 97.93
    propylene carbonate 361.06
    n-methylformamide 56.0
    2-pentanol 266.16
    n-pentane 553.38
    1-propoxy-2-propanol 536.24
    1-methoxy-2-propyl acetate 473.12
    2-(2-methoxypropoxy) propanol 226.01
    mesitylene 210.39
    ε-caprolactone 530.69
    p-cymene 287.18
    epichlorohydrin 661.21
    1,1,1-trichloroethane 802.92
    2-aminoethanol 32.36
    morpholine-4-carbaldehyde 300.36
    sulfolane 671.75
    2,2,4-trimethylpentane 163.59
    2-methyltetrahydrofuran 1271.71
    n-hexyl acetate 358.12
    isooctane 148.28
    2-(2-butoxyethoxy)ethanol 294.45
    sec-butyl acetate 290.73
    tert-butyl acetate 398.31
    decalin 328.63
    glycerin 39.6
    diglyme 595.22
    acrylic acid 69.59
    isopropyl myristate 217.93
    n-butyric acid 277.01
    acetyl acetate 225.67
    di(2-ethylhexyl) phthalate 118.22
    ethyl propionate 333.26
    nitromethane 140.1
    1,2-diethoxyethane 828.91
    benzonitrile 209.11
    trioctyl phosphate 101.99
    1-bromopropane 995.2
    gamma-valerolactone 508.62
    n-decanol 128.13
    triethyl phosphate 233.65
    4-methyl-2-pentanol 176.64
    propionitrile 210.42
    vinylene carbonate 214.14
    1,1,2-trichlorotrifluoroethane 289.7
    DMS 180.41
    cumene 179.77
    2-octanol 130.66
    2-hexanone 440.81
    octyl acetate 217.33
    limonene 617.58
    1,2-dimethoxyethane 527.09
    ethyl orthosilicate 265.57
    tributyl phosphate 145.03
    diacetone alcohol 279.97
    N,N-dimethylaniline 214.49
    acrylonitrile 152.81
    aniline 221.52
    1,3-propanediol 71.01
    bromobenzene 512.87
    dibromomethane 837.67
    1,1,2,2-tetrachloroethane 869.83
    2-methyl-cyclohexyl acetate 425.24
    tetrabutyl urea 197.17
    diisobutyl methanol 379.65
    2-phenylethanol 228.33
    styrene 312.62
    dioctyl adipate 254.99
    dimethyl sulfate 118.3
    ethyl butyrate 786.48
    methyl lactate 71.59
    butyl lactate 161.87
    diethyl carbonate 380.11
    propanediol butyl ether 120.04
    triethyl orthoformate 523.84
    p-tert-butyltoluene 281.6
    methyl 4-tert-butylbenzoate 204.29
    morpholine 719.5
    tert-butylamine 347.16
    n-dodecanol 112.82
    dimethoxymethane 275.7
    ethylene carbonate 213.31
    cyrene 155.98
    2-ethoxyethyl acetate 278.33
    2-ethylhexyl acetate 660.77
    1,2,4-trichlorobenzene 354.8
    4-methylpyridine 481.36
    dibutyl ether 819.15
    2,6-dimethyl-4-heptanol 379.65
    DEF 400.17
    dimethyl isosorbide 450.29
    tetrachloroethylene 521.14
    eugenol 155.32
    triacetin 242.52
    span 80 243.7
    1,4-butanediol 26.81
    1,1-dichloroethane 657.43
    2-methyl-1-pentanol 206.63
    methyl formate 48.76
    2-methyl-1-butanol 230.03
    n-decane 178.02
    butyronitrile 327.0
    3,7-dimethyl-1-octanol 246.19
    1-chlorooctane 337.8
    1-chlorotetradecane 140.59
    n-nonane 224.93
    undecane 116.49
    tert-butylcyclohexane 255.82
    cyclooctane 503.94
    cyclopentanol 313.88
    tetrahydropyran 1424.78
    tert-amyl methyl ether 512.33
    2,5,8-trioxanonane 391.75
    1-hexene 1103.1
    2-isopropoxyethanol 159.46
    2,2,2-trifluoroethanol 21.11
    methyl butyrate 410.34

    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