1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-

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  • Identifiers

    CAS number
    3306-40-9

    Molecular formula
    C14H14O2

    SMILES
    CC#CC#CC=C1C=CC2(O1)CCCCO2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 52.54%
    Spicy 49.72%
    Warm 25.51%
    Herbal 24.08%
    Cinnamon 22.11%
    Floral 20.12%
    Roasted 19.72%
    Nutty 19.32%
    Woody 19.07%
    Vanilla 18.4%

     

    Flavor
    Bitter 74.52%
    Nitrile 18.62%
    Lovage 18.3%
    Cedarleaf 18.16%
    Taco 17.88%
    Shrimp 17.31%
    Oriental 17.16%
    Sweet-like 17.15%
    Parsley 17.13%
    Cereal 17.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    5.75 (weak acid)

    Molecular weight
    214.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    402°C

    Flash point

    • 137.91 ˚C est.

  • Synonyms

    • DTXSID20316337
    • 1,6-Dioxaspiro[4.5]dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-
    • 2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene
    • 2-hexa-2,4-diynylidene-1,10-dioxaspiro(4.5)dec-3-ene
    • 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-
    • RefChem:221563
    • DTXCID10267460
    • 3306-40-9
    • SCHEMBL3661306
    • NCI60_002549
    • 2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-ene
    • 3306-40-9

  • Applications

    1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E-) (CAS 3306-40-9) is an organic chemical commonly used as an intermediate building block in the synthesis of specialty compounds, serving as a monomer or crosslinking component in coatings, resins, and adhesives. The molecule bears a diynylidene group and a spiroacetal moiety, enabling participation in click chemistry and C≡C coupling reactions to tailor material structure and properties. It is often regarded as a multifunctional building unit for advanced polymers and polymeric materials, and can also be employed as a precursor for complex synthetic sequences in research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.15
    methanol 76.95
    isopropanol 41.96
    water 0.15
    ethyl acetate 213.61
    n-propanol 57.05
    acetone 203.6
    n-butanol 64.21
    acetonitrile 168.11
    DMF 240.75
    toluene 147.52
    isobutanol 47.46
    1,4-dioxane 286.17
    methyl acetate 209.18
    THF 328.84
    2-butanone 209.67
    n-pentanol 67.91
    sec-butanol 54.22
    n-hexane 15.84
    ethylene glycol 33.08
    NMP 298.31
    cyclohexane 24.55
    DMSO 478.93
    n-butyl acetate 171.18
    n-octanol 47.82
    chloroform 928.89
    n-propyl acetate 164.49
    acetic acid 181.58
    dichloromethane 922.92
    cyclohexanone 295.23
    propylene glycol 35.42
    isopropyl acetate 154.22
    DMAc 428.11
    2-ethoxyethanol 162.41
    isopentanol 75.42
    n-heptane 10.67
    ethyl formate 109.04
    1,2-dichloroethane 473.48
    n-hexanol 72.45
    2-methoxyethanol 194.88
    isobutyl acetate 126.46
    tetrachloromethane 70.31
    n-pentyl acetate 110.18
    transcutol 1017.72
    n-heptanol 37.08
    ethylbenzene 91.37
    MIBK 134.61
    2-propoxyethanol 182.42
    tert-butanol 62.56
    MTBE 105.39
    2-butoxyethanol 108.08
    propionic acid 107.72
    o-xylene 94.96
    formic acid 75.84
    diethyl ether 131.91
    m-xylene 96.58
    p-xylene 112.82
    chlorobenzene 254.45
    dimethyl carbonate 136.51
    n-octane 5.98
    formamide 125.28
    cyclopentanone 319.38
    2-pentanone 166.69
    anisole 234.85
    cyclopentyl methyl ether 166.23
    gamma-butyrolactone 351.16
    1-methoxy-2-propanol 150.19
    pyridine 314.91
    3-pentanone 170.44
    furfural 420.45
    n-dodecane 8.59
    diethylene glycol 169.27
    diisopropyl ether 55.38
    tert-amyl alcohol 70.6
    acetylacetone 312.33
    n-hexadecane 9.94
    acetophenone 242.15
    methyl propionate 166.44
    isopentyl acetate 165.13
    trichloroethylene 887.4
    n-nonanol 49.63
    cyclohexanol 84.73
    benzyl alcohol 150.2
    2-ethylhexanol 65.39
    isooctanol 37.97
    dipropyl ether 80.11
    1,2-dichlorobenzene 281.42
    ethyl lactate 103.29
    propylene carbonate 237.03
    n-methylformamide 108.03
    2-pentanol 49.6
    n-pentane 10.45
    1-propoxy-2-propanol 125.61
    1-methoxy-2-propyl acetate 210.56
    2-(2-methoxypropoxy) propanol 219.04
    mesitylene 67.63
    ε-caprolactone 269.73
    p-cymene 55.37
    epichlorohydrin 472.6
    1,1,1-trichloroethane 301.29
    2-aminoethanol 49.9
    morpholine-4-carbaldehyde 384.89
    sulfolane 448.03
    2,2,4-trimethylpentane 12.41
    2-methyltetrahydrofuran 223.79
    n-hexyl acetate 168.04
    isooctane 9.12
    2-(2-butoxyethoxy)ethanol 253.02
    sec-butyl acetate 137.33
    tert-butyl acetate 167.3
    decalin 26.22
    glycerin 80.93
    diglyme 467.4
    acrylic acid 131.04
    isopropyl myristate 86.63
    n-butyric acid 149.54
    acetyl acetate 237.89
    di(2-ethylhexyl) phthalate 94.91
    ethyl propionate 158.19
    nitromethane 368.07
    1,2-diethoxyethane 249.11
    benzonitrile 217.4
    trioctyl phosphate 57.02
    1-bromopropane 196.42
    gamma-valerolactone 407.62
    n-decanol 40.34
    triethyl phosphate 107.81
    4-methyl-2-pentanol 47.02
    propionitrile 122.03
    vinylene carbonate 250.61
    1,1,2-trichlorotrifluoroethane 353.98
    DMS 234.34
    cumene 67.52
    2-octanol 29.37
    2-hexanone 154.54
    octyl acetate 99.16
    limonene 72.82
    1,2-dimethoxyethane 295.58
    ethyl orthosilicate 95.72
    tributyl phosphate 90.63
    diacetone alcohol 149.38
    N,N-dimethylaniline 153.08
    acrylonitrile 186.77
    aniline 152.96
    1,3-propanediol 76.79
    bromobenzene 321.15
    dibromomethane 549.01
    1,1,2,2-tetrachloroethane 637.42
    2-methyl-cyclohexyl acetate 142.22
    tetrabutyl urea 111.99
    diisobutyl methanol 46.29
    2-phenylethanol 127.81
    styrene 130.07
    dioctyl adipate 148.2
    dimethyl sulfate 240.5
    ethyl butyrate 149.87
    methyl lactate 111.12
    butyl lactate 99.98
    diethyl carbonate 139.82
    propanediol butyl ether 114.05
    triethyl orthoformate 124.34
    p-tert-butyltoluene 51.17
    methyl 4-tert-butylbenzoate 169.73
    morpholine 256.7
    tert-butylamine 43.43
    n-dodecanol 34.49
    dimethoxymethane 215.16
    ethylene carbonate 195.69
    cyrene 193.39
    2-ethoxyethyl acetate 211.51
    2-ethylhexyl acetate 140.5
    1,2,4-trichlorobenzene 328.4
    4-methylpyridine 270.57
    dibutyl ether 95.44
    2,6-dimethyl-4-heptanol 46.29
    DEF 214.96
    dimethyl isosorbide 296.96
    tetrachloroethylene 353.13
    eugenol 169.71
    triacetin 281.88
    span 80 148.42
    1,4-butanediol 43.17
    1,1-dichloroethane 319.47
    2-methyl-1-pentanol 85.46
    methyl formate 101.49
    2-methyl-1-butanol 69.99
    n-decane 11.38
    butyronitrile 112.81
    3,7-dimethyl-1-octanol 66.64
    1-chlorooctane 52.2
    1-chlorotetradecane 29.08
    n-nonane 9.7
    undecane 9.61
    tert-butylcyclohexane 22.02
    cyclooctane 10.61
    cyclopentanol 71.48
    tetrahydropyran 196.42
    tert-amyl methyl ether 99.5
    2,5,8-trioxanonane 372.58
    1-hexene 53.3
    2-isopropoxyethanol 127.65
    2,2,2-trifluoroethanol 86.19
    methyl butyrate 178.32

    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