Agn-PC-036due

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  • Identifiers

    CAS number
    29444-87-9

    Molecular formula
    C15H18O2

    SMILES
    CC=CC#CC#CC=CCOC(=O)CC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 53.82%
    Sweet 45.73%
    Spicy 34.21%
    Floral 32.4%
    Violet 30.45%
    Herbal 28.94%
    Tropical 28.3%
    Fruity 27.04%
    Metallic 26.35%
    Leafy 25.43%

     

    Flavor
    Bitter 63.31%
    Odorless 24.57%
    Nitrile 20.28%
    Oriental 19.27%
    Heather 18.41%
    Broom 18.19%
    Genet 18.09%
    Cedarleaf 18.09%
    Ocimene 18.04%
    Bland 18.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    5.15 (weak acid)

    Molecular weight
    230.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    254°C

    Flash point

    • 147.51 ˚C est.

  • Synonyms

    • AGN-PC-036DUE
    • SCHEMBL28223205
    • DTXSID60336059
    • Deca-2,8-diene-4,6-diyn-1-yl 3-methylbutanoate
    • 29444-87-9
    • 29444-87-9

  • Applications

    Agn-PC-036due (CAS 29444-87-9) is typically used as an intermediate in organic synthesis and as a solvent or co-solvent in industrial formulations. In polymers and plastics, it can act as a processing aid and stabilizer, helping processing and thermal stability. In coatings and inks, it serves as a resin modifier or functional additive to improve formulation performance. It can function as a surfactant or compatibility agent in cleaning and surface-treatment formulations, and may be used as an adhesive formulation additive in certain systems. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 896.75
    methanol 924.58
    isopropanol 664.59
    water 0.7
    ethyl acetate 968.15
    n-propanol 635.29
    acetone 1957.2
    n-butanol 650.76
    acetonitrile 969.02
    DMF 1782.9
    toluene 395.29
    isobutanol 505.17
    1,4-dioxane 1076.57
    methyl acetate 832.78
    THF 1947.51
    2-butanone 1137.76
    n-pentanol 503.91
    sec-butanol 588.09
    n-hexane 189.48
    ethylene glycol 171.77
    NMP 1389.1
    cyclohexane 280.93
    DMSO 1910.13
    n-butyl acetate 704.74
    n-octanol 313.17
    chloroform 3245.75
    n-propyl acetate 694.69
    acetic acid 1314.84
    dichloromethane 2941.19
    cyclohexanone 1721.46
    propylene glycol 312.16
    isopropyl acetate 575.51
    DMAc 1286.13
    2-ethoxyethanol 554.6
    isopentanol 512.08
    n-heptane 79.32
    ethyl formate 586.26
    1,2-dichloroethane 1818.66
    n-hexanol 493.09
    2-methoxyethanol 882.73
    isobutyl acetate 432.79
    tetrachloromethane 294.14
    n-pentyl acetate 444.95
    transcutol 1847.2
    n-heptanol 227.48
    ethylbenzene 280.19
    MIBK 562.29
    2-propoxyethanol 689.62
    tert-butanol 742.97
    MTBE 643.97
    2-butoxyethanol 396.39
    propionic acid 761.53
    o-xylene 254.75
    formic acid 294.98
    diethyl ether 781.16
    m-xylene 284.29
    p-xylene 371.28
    chlorobenzene 807.7
    dimethyl carbonate 400.51
    n-octane 42.02
    formamide 420.76
    cyclopentanone 1821.8
    2-pentanone 1023.34
    anisole 571.35
    cyclopentyl methyl ether 865.04
    gamma-butyrolactone 1709.14
    1-methoxy-2-propanol 771.29
    pyridine 1078.56
    3-pentanone 723.04
    furfural 1269.64
    n-dodecane 35.82
    diethylene glycol 499.44
    diisopropyl ether 238.05
    tert-amyl alcohol 630.47
    acetylacetone 1136.4
    n-hexadecane 41.13
    acetophenone 574.71
    methyl propionate 744.89
    isopentyl acetate 571.81
    trichloroethylene 3350.21
    n-nonanol 255.72
    cyclohexanol 752.8
    benzyl alcohol 451.55
    2-ethylhexanol 306.18
    isooctanol 199.01
    dipropyl ether 386.67
    1,2-dichlorobenzene 707.23
    ethyl lactate 362.32
    propylene carbonate 1015.46
    n-methylformamide 715.41
    2-pentanol 485.51
    n-pentane 129.93
    1-propoxy-2-propanol 569.37
    1-methoxy-2-propyl acetate 590.71
    2-(2-methoxypropoxy) propanol 455.77
    mesitylene 197.83
    ε-caprolactone 1134.48
    p-cymene 156.76
    epichlorohydrin 1834.39
    1,1,1-trichloroethane 1553.74
    2-aminoethanol 363.91
    morpholine-4-carbaldehyde 1075.1
    sulfolane 1942.04
    2,2,4-trimethylpentane 61.59
    2-methyltetrahydrofuran 1200.47
    n-hexyl acetate 718.68
    isooctane 51.45
    2-(2-butoxyethoxy)ethanol 635.0
    sec-butyl acetate 435.57
    tert-butyl acetate 628.8
    decalin 112.66
    glycerin 352.97
    diglyme 1064.12
    acrylic acid 704.73
    isopropyl myristate 256.91
    n-butyric acid 1049.74
    acetyl acetate 666.68
    di(2-ethylhexyl) phthalate 233.64
    ethyl propionate 576.46
    nitromethane 1926.84
    1,2-diethoxyethane 602.84
    benzonitrile 661.82
    trioctyl phosphate 178.08
    1-bromopropane 1037.28
    gamma-valerolactone 1640.1
    n-decanol 187.51
    triethyl phosphate 238.04
    4-methyl-2-pentanol 265.88
    propionitrile 681.79
    vinylene carbonate 972.27
    1,1,2-trichlorotrifluoroethane 1186.57
    DMS 557.04
    cumene 193.51
    2-octanol 197.54
    2-hexanone 773.45
    octyl acetate 336.29
    limonene 252.52
    1,2-dimethoxyethane 1042.95
    ethyl orthosilicate 222.91
    tributyl phosphate 239.98
    diacetone alcohol 661.02
    N,N-dimethylaniline 381.1
    acrylonitrile 850.32
    aniline 484.1
    1,3-propanediol 471.64
    bromobenzene 902.72
    dibromomethane 1972.42
    1,1,2,2-tetrachloroethane 2666.19
    2-methyl-cyclohexyl acetate 409.31
    tetrabutyl urea 306.74
    diisobutyl methanol 189.15
    2-phenylethanol 397.35
    styrene 372.17
    dioctyl adipate 386.06
    dimethyl sulfate 626.17
    ethyl butyrate 492.8
    methyl lactate 431.57
    butyl lactate 390.88
    diethyl carbonate 365.03
    propanediol butyl ether 493.27
    triethyl orthoformate 325.53
    p-tert-butyltoluene 149.9
    methyl 4-tert-butylbenzoate 451.57
    morpholine 1274.35
    tert-butylamine 458.94
    n-dodecanol 143.87
    dimethoxymethane 860.9
    ethylene carbonate 767.11
    cyrene 459.98
    2-ethoxyethyl acetate 530.74
    2-ethylhexyl acetate 425.25
    1,2,4-trichlorobenzene 783.41
    4-methylpyridine 1052.66
    dibutyl ether 445.18
    2,6-dimethyl-4-heptanol 189.15
    DEF 906.9
    dimethyl isosorbide 695.54
    tetrachloroethylene 1474.32
    eugenol 442.64
    triacetin 671.73
    span 80 442.0
    1,4-butanediol 235.67
    1,1-dichloroethane 1760.09
    2-methyl-1-pentanol 442.29
    methyl formate 630.71
    2-methyl-1-butanol 489.24
    n-decane 60.67
    butyronitrile 800.46
    3,7-dimethyl-1-octanol 296.76
    1-chlorooctane 274.32
    1-chlorotetradecane 102.92
    n-nonane 63.69
    undecane 44.42
    tert-butylcyclohexane 100.34
    cyclooctane 72.31
    cyclopentanol 705.85
    tetrahydropyran 1333.8
    tert-amyl methyl ether 466.84
    2,5,8-trioxanonane 708.25
    1-hexene 505.75
    2-isopropoxyethanol 433.67
    2,2,2-trifluoroethanol 373.87
    methyl butyrate 818.22

    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