12-Tridecene-4,6,8,10-tetraynal

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  • Identifiers

    CAS number
    28789-45-9

    Molecular formula
    C13H8O

    SMILES
    C=CC#CC#CC#CC#CCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 53.13%
    Floral 34.55%
    Spicy 31.4%
    Pungent 23.6%
    Metallic 23.09%
    Green 20.83%
    Cinnamon 19.89%
    Warm 18.68%
    Fresh 18.48%
    Nutty 17.88%

     

    Flavor
    Bitter 80.26%
    Odorless 25.32%
    Nitrile 19.49%
    Bland 18.27%
    Oriental 16.69%
    Taco 16.29%
    Rotten 16.11%
    Very strong 15.95%
    Cedarleaf 15.93%
    Sweet-like 15.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    2.6 (strong acid)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    272°C

    Flash point

    • 162.6 ˚C est.

  • Synonyms

    • 12-Tridecene-4,6,8,10-tetraynal
    • 28789-45-9
    • RefChem:78299
    • SCHEMBL31307025
    • DTXSID301303957
    • Tridec-12-ene-4,6,8,10-tetraynal
    • 28789-45-9

  • Applications

    12-Tridecene-4,6,8,10-tetraynal (CAS 28789-45-9) is used primarily as a reactive intermediate and crosslinking building block in polymer and materials chemistry. In industrial manufacturing it serves as a precursor for functionalized polymers and specialty monomers, enabling later chain extension or post-polymerization modification. It is employed in coatings and inks as a crosslinking agent or reactive diluent, improving film formation and adhesion. In research and advanced materials applications, its four acetylene groups allow cycloaddition-based functionalization and development of novel conductive or optoelectronic polymers. It may also find use in specialty adhesive formulations, with applications typically at laboratory or pilot scales and subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.38
    methanol 110.69
    isopropanol 43.52
    water 0.04
    ethyl acetate 440.97
    n-propanol 59.84
    acetone 491.34
    n-butanol 61.5
    acetonitrile 291.65
    DMF 732.38
    toluene 207.07
    isobutanol 40.93
    1,4-dioxane 345.91
    methyl acetate 397.87
    THF 568.95
    2-butanone 343.79
    n-pentanol 67.15
    sec-butanol 47.54
    n-hexane 26.61
    ethylene glycol 28.44
    NMP 564.94
    cyclohexane 25.75
    DMSO 873.16
    n-butyl acetate 370.15
    n-octanol 39.43
    chloroform 754.91
    n-propyl acetate 309.67
    acetic acid 198.09
    dichloromethane 1013.56
    cyclohexanone 428.56
    propylene glycol 31.87
    isopropyl acetate 231.84
    DMAc 716.65
    2-ethoxyethanol 202.31
    isopentanol 61.7
    n-heptane 17.54
    ethyl formate 169.62
    1,2-dichloroethane 719.28
    n-hexanol 71.74
    2-methoxyethanol 270.45
    isobutyl acetate 176.64
    tetrachloromethane 57.07
    n-pentyl acetate 143.54
    transcutol 1462.18
    n-heptanol 28.84
    ethylbenzene 128.31
    MIBK 167.27
    2-propoxyethanol 213.36
    tert-butanol 64.85
    MTBE 138.98
    2-butoxyethanol 102.69
    propionic acid 112.28
    o-xylene 102.31
    formic acid 62.76
    diethyl ether 222.62
    m-xylene 113.3
    p-xylene 139.87
    chlorobenzene 300.3
    dimethyl carbonate 189.07
    n-octane 7.96
    formamide 157.44
    cyclopentanone 565.4
    2-pentanone 281.33
    anisole 332.49
    cyclopentyl methyl ether 257.03
    gamma-butyrolactone 609.94
    1-methoxy-2-propanol 170.71
    pyridine 565.84
    3-pentanone 258.51
    furfural 643.59
    n-dodecane 7.37
    diethylene glycol 159.0
    diisopropyl ether 69.0
    tert-amyl alcohol 65.22
    acetylacetone 534.99
    n-hexadecane 8.72
    acetophenone 325.93
    methyl propionate 337.83
    isopentyl acetate 279.08
    trichloroethylene 1471.88
    n-nonanol 39.64
    cyclohexanol 71.37
    benzyl alcohol 159.83
    2-ethylhexanol 69.3
    isooctanol 30.34
    dipropyl ether 161.12
    1,2-dichlorobenzene 300.61
    ethyl lactate 112.96
    propylene carbonate 302.63
    n-methylformamide 244.02
    2-pentanol 46.21
    n-pentane 12.35
    1-propoxy-2-propanol 165.52
    1-methoxy-2-propyl acetate 357.09
    2-(2-methoxypropoxy) propanol 218.42
    mesitylene 66.37
    ε-caprolactone 369.27
    p-cymene 65.13
    epichlorohydrin 812.19
    1,1,1-trichloroethane 396.25
    2-aminoethanol 47.86
    morpholine-4-carbaldehyde 589.21
    sulfolane 726.74
    2,2,4-trimethylpentane 10.71
    2-methyltetrahydrofuran 322.4
    n-hexyl acetate 205.67
    isooctane 8.5
    2-(2-butoxyethoxy)ethanol 267.38
    sec-butyl acetate 200.6
    tert-butyl acetate 246.82
    decalin 29.34
    glycerin 58.84
    diglyme 669.19
    acrylic acid 136.05
    isopropyl myristate 85.4
    n-butyric acid 148.83
    acetyl acetate 339.07
    di(2-ethylhexyl) phthalate 78.31
    ethyl propionate 284.41
    nitromethane 747.48
    1,2-diethoxyethane 489.79
    benzonitrile 269.86
    trioctyl phosphate 44.04
    1-bromopropane 262.08
    gamma-valerolactone 668.19
    n-decanol 31.5
    triethyl phosphate 127.18
    4-methyl-2-pentanol 36.38
    propionitrile 175.11
    vinylene carbonate 321.95
    1,1,2-trichlorotrifluoroethane 488.34
    DMS 346.43
    cumene 74.14
    2-octanol 24.88
    2-hexanone 261.22
    octyl acetate 96.8
    limonene 93.36
    1,2-dimethoxyethane 547.92
    ethyl orthosilicate 115.52
    tributyl phosphate 82.73
    diacetone alcohol 203.51
    N,N-dimethylaniline 186.8
    acrylonitrile 293.0
    aniline 161.05
    1,3-propanediol 70.31
    bromobenzene 393.45
    dibromomethane 555.91
    1,1,2,2-tetrachloroethane 890.19
    2-methyl-cyclohexyl acetate 176.77
    tetrabutyl urea 121.36
    diisobutyl methanol 52.89
    2-phenylethanol 139.26
    styrene 205.91
    dioctyl adipate 150.71
    dimethyl sulfate 369.47
    ethyl butyrate 292.95
    methyl lactate 126.69
    butyl lactate 112.64
    diethyl carbonate 214.1
    propanediol butyl ether 101.04
    triethyl orthoformate 189.1
    p-tert-butyltoluene 58.63
    methyl 4-tert-butylbenzoate 170.17
    morpholine 360.43
    tert-butylamine 40.78
    n-dodecanol 26.69
    dimethoxymethane 404.67
    ethylene carbonate 231.27
    cyrene 174.92
    2-ethoxyethyl acetate 311.11
    2-ethylhexyl acetate 233.58
    1,2,4-trichlorobenzene 358.86
    4-methylpyridine 456.37
    dibutyl ether 164.66
    2,6-dimethyl-4-heptanol 52.89
    DEF 425.3
    dimethyl isosorbide 386.6
    tetrachloroethylene 490.46
    eugenol 187.41
    triacetin 288.93
    span 80 140.08
    1,4-butanediol 38.4
    1,1-dichloroethane 410.9
    2-methyl-1-pentanol 73.85
    methyl formate 195.16
    2-methyl-1-butanol 54.74
    n-decane 11.05
    butyronitrile 157.79
    3,7-dimethyl-1-octanol 58.83
    1-chlorooctane 56.21
    1-chlorotetradecane 24.83
    n-nonane 10.63
    undecane 8.74
    tert-butylcyclohexane 24.08
    cyclooctane 12.15
    cyclopentanol 70.03
    tetrahydropyran 264.27
    tert-amyl methyl ether 127.09
    2,5,8-trioxanonane 453.38
    1-hexene 95.99
    2-isopropoxyethanol 138.67
    2,2,2-trifluoroethanol 64.81
    methyl butyrate 342.78

    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