2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl acetate

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  • Identifiers

    CAS number
    2226-03-1

    Molecular formula
    C13H20O2

    SMILES
    CC(=O)OCC=C1C2CCC(C2)C1(C)C

  • Odor profile

    Fragrance
    Woody 87.23%
    Fruity 76.44%
    Floral 65.8%
    Sweet 57.55%
    Berry 48.73%
    Herbal 45.85%
    Balsamic 42.52%
    Violet 38.77%
    Powdery 37.49%
    Spicy 37.06%

     

    Flavor
    Sweet 57.66%
    Woody 52.78%
    Balsam 38.71%
    Herbal 37.36%
    Pine 33.34%
    Fruit 30.41%
    Tropical 30.06%
    Fruity 29.7%
    Rose 29.63%
    Camphor 28.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.7 (weak base)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    283°C

    Flash point

    • 118.29 ˚C est.

  • Synonyms

    • 2226-03-1
    • DTXSID80883813
    • DVZKEXVVDIXSMK-UHFFFAOYSA-N
    • NS00083371

  • Applications

    2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl acetate (CAS 2226-03-1) is used as a specialty chemical intermediate and a reactive monomer in polymer and coating formulations. In polymers and plastics, it may serve as a crosslinker or functional monomer to impart rigidity and tailor cure behavior. In coatings and inks, it can act as a reactive diluent or crosslinkable component for UV- or heat-curable systems. In adhesives, it often functions as a specialty monomer to adjust viscosity and cure performance. In industrial manufacturing, it is employed as a building block for the synthesis of other specialty chemicals and norbornyl-containing intermediates. Overall, its applications are oriented toward formulation technology where controlled reactivity and crosslinking are desirable.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 701.85
    methanol 628.99
    isopropanol 592.03
    water 4.08
    ethyl acetate 1145.47
    n-propanol 668.11
    acetone 1107.45
    n-butanol 602.93
    acetonitrile 646.83
    DMF 1755.63
    toluene 873.8
    isobutanol 477.1
    1,4-dioxane 2258.04
    methyl acetate 872.75
    THF 2218.47
    2-butanone 927.2
    n-pentanol 265.58
    sec-butanol 442.14
    n-hexane 43.28
    ethylene glycol 220.11
    NMP 1008.32
    cyclohexane 137.53
    DMSO 886.71
    n-butyl acetate 449.45
    n-octanol 81.67
    chloroform 3145.46
    n-propyl acetate 368.59
    acetic acid 652.39
    dichloromethane 2094.94
    cyclohexanone 1030.69
    propylene glycol 267.92
    isopropyl acetate 811.04
    DMAc 1370.37
    2-ethoxyethanol 651.35
    isopentanol 539.11
    n-heptane 16.24
    ethyl formate 441.46
    1,2-dichloroethane 1561.04
    n-hexanol 318.48
    2-methoxyethanol 1304.06
    isobutyl acetate 262.63
    tetrachloromethane 423.24
    n-pentyl acetate 201.09
    transcutol 2513.86
    n-heptanol 109.89
    ethylbenzene 295.61
    MIBK 520.74
    2-propoxyethanol 879.13
    tert-butanol 830.14
    MTBE 1118.35
    2-butoxyethanol 358.72
    propionic acid 486.95
    o-xylene 432.02
    formic acid 398.68
    diethyl ether 1135.28
    m-xylene 529.61
    p-xylene 335.75
    chlorobenzene 941.86
    dimethyl carbonate 609.9
    n-octane 5.35
    formamide 775.1
    cyclopentanone 1171.95
    2-pentanone 839.37
    anisole 847.64
    cyclopentyl methyl ether 1020.02
    gamma-butyrolactone 1220.9
    1-methoxy-2-propanol 1044.76
    pyridine 1552.44
    3-pentanone 732.35
    furfural 1270.13
    n-dodecane 4.34
    diethylene glycol 721.53
    diisopropyl ether 348.9
    tert-amyl alcohol 547.82
    acetylacetone 1160.52
    n-hexadecane 5.43
    acetophenone 530.08
    methyl propionate 907.62
    isopentyl acetate 470.42
    trichloroethylene 2985.95
    n-nonanol 83.25
    cyclohexanol 497.85
    benzyl alcohol 452.6
    2-ethylhexanol 147.55
    isooctanol 93.2
    dipropyl ether 249.53
    1,2-dichlorobenzene 780.0
    ethyl lactate 196.0
    propylene carbonate 689.8
    n-methylformamide 874.8
    2-pentanol 376.76
    n-pentane 60.39
    1-propoxy-2-propanol 488.93
    1-methoxy-2-propyl acetate 870.91
    2-(2-methoxypropoxy) propanol 437.07
    mesitylene 297.82
    ε-caprolactone 928.2
    p-cymene 114.63
    epichlorohydrin 2149.59
    1,1,1-trichloroethane 1531.5
    2-aminoethanol 437.23
    morpholine-4-carbaldehyde 1613.48
    sulfolane 1069.43
    2,2,4-trimethylpentane 38.02
    2-methyltetrahydrofuran 1455.59
    n-hexyl acetate 279.01
    isooctane 33.51
    2-(2-butoxyethoxy)ethanol 641.5
    sec-butyl acetate 357.0
    tert-butyl acetate 829.85
    decalin 55.81
    glycerin 423.77
    diglyme 1264.55
    acrylic acid 466.02
    isopropyl myristate 108.17
    n-butyric acid 717.32
    acetyl acetate 816.19
    di(2-ethylhexyl) phthalate 135.7
    ethyl propionate 439.56
    nitromethane 1388.61
    1,2-diethoxyethane 677.61
    benzonitrile 508.16
    trioctyl phosphate 76.41
    1-bromopropane 796.74
    gamma-valerolactone 1829.08
    n-decanol 59.3
    triethyl phosphate 177.43
    4-methyl-2-pentanol 260.4
    propionitrile 555.79
    vinylene carbonate 699.04
    1,1,2-trichlorotrifluoroethane 1356.33
    DMS 551.0
    cumene 174.9
    2-octanol 58.48
    2-hexanone 331.16
    octyl acetate 133.88
    limonene 151.1
    1,2-dimethoxyethane 1075.92
    ethyl orthosilicate 178.37
    tributyl phosphate 117.98
    diacetone alcohol 705.21
    N,N-dimethylaniline 413.44
    acrylonitrile 681.6
    aniline 1023.82
    1,3-propanediol 657.03
    bromobenzene 981.99
    dibromomethane 1341.26
    1,1,2,2-tetrachloroethane 2450.95
    2-methyl-cyclohexyl acetate 250.67
    tetrabutyl urea 128.8
    diisobutyl methanol 103.36
    2-phenylethanol 415.5
    styrene 410.79
    dioctyl adipate 170.6
    dimethyl sulfate 781.62
    ethyl butyrate 294.8
    methyl lactate 433.29
    butyl lactate 193.36
    diethyl carbonate 240.87
    propanediol butyl ether 277.31
    triethyl orthoformate 256.76
    p-tert-butyltoluene 130.3
    methyl 4-tert-butylbenzoate 331.2
    morpholine 2334.96
    tert-butylamine 521.83
    n-dodecanol 44.1
    dimethoxymethane 1434.43
    ethylene carbonate 628.58
    cyrene 331.59
    2-ethoxyethyl acetate 497.72
    2-ethylhexyl acetate 360.62
    1,2,4-trichlorobenzene 989.29
    4-methylpyridine 1484.64
    dibutyl ether 143.97
    2,6-dimethyl-4-heptanol 103.36
    DEF 886.75
    dimethyl isosorbide 657.22
    tetrachloroethylene 1426.76
    eugenol 308.22
    triacetin 370.37
    span 80 267.56
    1,4-butanediol 171.85
    1,1-dichloroethane 1578.19
    2-methyl-1-pentanol 271.45
    methyl formate 586.41
    2-methyl-1-butanol 465.73
    n-decane 7.86
    butyronitrile 489.8
    3,7-dimethyl-1-octanol 131.12
    1-chlorooctane 57.05
    1-chlorotetradecane 22.67
    n-nonane 6.5
    undecane 5.59
    tert-butylcyclohexane 44.97
    cyclooctane 39.29
    cyclopentanol 481.78
    tetrahydropyran 1720.49
    tert-amyl methyl ether 650.56
    2,5,8-trioxanonane 760.61
    1-hexene 158.34
    2-isopropoxyethanol 441.93
    2,2,2-trifluoroethanol 416.23
    methyl butyrate 450.62

    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