Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-

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  • Identifiers

    CAS number
    2226-05-3

    Molecular formula
    C11H18O

    SMILES
    CC1(C2CCC(C2)C1=CCO)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 88.34%
    Sandalwood 56.77%
    Amber 53.83%
    Balsamic 51.04%
    Cedar 48.03%
    Dry 47.44%
    Sweet 42.07%
    Pine 39.9%
    Camphoreous 39.11%
    Vetiver 36.93%

     

    Flavor
    Sweet 69.95%
    Woody 69.71%
    Balsam 50.96%
    Herbal 46.89%
    Pine 38.47%
    Spicy 34.1%
    Balsamic 32.12%
    Wood 31.8%
    Camphor 31.32%
    Dry 29.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.44 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 103.76 ˚C est.

  • Synonyms

    • 2226-05-3
    • Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-
    • DTXSID70862879
    • JGDHOHFQJJATNG-UHFFFAOYSA-N
    • NS00083695

  • Applications

    Ethanol, 2-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)- (CAS 2226-05-3) is a norbornene-type compound bearing an ethanol-derived substituent, typically treated as an intermediate and building block for targeted industrial applications. It may be used as an organic-synthesis intermediate to construct complex ring systems and substituents; as a monomer or comonomer in ROMP-derived specialty polymers to deliver materials with high rigidity, thermal stability, and mechanical performance; it can function as a reactive-curing agent or solvent component in coatings, inks, and adhesives formulations; in cosmetics and personal care, it can be considered as a fragrance ingredient or fixative, or a precursor for fragrance compounds; in electronics and materials applications, it could serve as a structural unit in plastics and coatings, including potential use in photoresists or high-performance coating formulations. Additional potential uses include acting as a polymer additive to tune properties of specialized plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 891.08
    methanol 734.61
    isopropanol 947.2
    water 10.83
    ethyl acetate 783.91
    n-propanol 844.39
    acetone 1070.46
    n-butanol 755.85
    acetonitrile 1173.85
    DMF 987.71
    toluene 421.35
    isobutanol 586.74
    1,4-dioxane 1617.58
    methyl acetate 735.88
    THF 2016.33
    2-butanone 731.7
    n-pentanol 243.32
    sec-butanol 443.87
    n-hexane 22.86
    ethylene glycol 271.27
    NMP 378.08
    cyclohexane 78.93
    DMSO 630.19
    n-butyl acetate 435.9
    n-octanol 186.5
    chloroform 1486.72
    n-propyl acetate 257.68
    acetic acid 346.53
    dichloromethane 1334.51
    cyclohexanone 717.49
    propylene glycol 330.03
    isopropyl acetate 453.46
    DMAc 390.49
    2-ethoxyethanol 432.63
    isopentanol 531.23
    n-heptane 44.44
    ethyl formate 582.89
    1,2-dichloroethane 805.13
    n-hexanol 531.91
    2-methoxyethanol 1117.22
    isobutyl acetate 176.63
    tetrachloromethane 318.37
    n-pentyl acetate 212.07
    transcutol 906.4
    n-heptanol 219.71
    ethylbenzene 152.16
    MIBK 374.92
    2-propoxyethanol 875.02
    tert-butanol 875.49
    MTBE 637.25
    2-butoxyethanol 393.99
    propionic acid 403.35
    o-xylene 221.89
    formic acid 182.5
    diethyl ether 664.79
    m-xylene 297.39
    p-xylene 195.16
    chlorobenzene 447.22
    dimethyl carbonate 293.96
    n-octane 21.07
    formamide 349.98
    cyclopentanone 1008.16
    2-pentanone 638.84
    anisole 325.49
    cyclopentyl methyl ether 546.87
    gamma-butyrolactone 1090.21
    1-methoxy-2-propanol 896.37
    pyridine 818.02
    3-pentanone 396.86
    furfural 700.2
    n-dodecane 18.87
    diethylene glycol 617.01
    diisopropyl ether 186.17
    tert-amyl alcohol 393.55
    acetylacetone 635.88
    n-hexadecane 21.43
    acetophenone 227.89
    methyl propionate 566.34
    isopentyl acetate 354.57
    trichloroethylene 1159.16
    n-nonanol 155.24
    cyclohexanol 390.46
    benzyl alcohol 257.08
    2-ethylhexanol 216.59
    isooctanol 160.37
    dipropyl ether 308.21
    1,2-dichlorobenzene 337.15
    ethyl lactate 154.31
    propylene carbonate 492.35
    n-methylformamide 756.68
    2-pentanol 384.68
    n-pentane 54.39
    1-propoxy-2-propanol 539.95
    1-methoxy-2-propyl acetate 493.26
    2-(2-methoxypropoxy) propanol 239.92
    mesitylene 182.33
    ε-caprolactone 534.35
    p-cymene 133.83
    epichlorohydrin 1202.12
    1,1,1-trichloroethane 803.59
    2-aminoethanol 491.31
    morpholine-4-carbaldehyde 682.34
    sulfolane 621.74
    2,2,4-trimethylpentane 29.49
    2-methyltetrahydrofuran 895.65
    n-hexyl acetate 269.42
    isooctane 37.41
    2-(2-butoxyethoxy)ethanol 379.51
    sec-butyl acetate 184.99
    tert-butyl acetate 396.35
    decalin 32.04
    glycerin 395.39
    diglyme 725.83
    acrylic acid 317.4
    isopropyl myristate 114.4
    n-butyric acid 640.45
    acetyl acetate 386.67
    di(2-ethylhexyl) phthalate 109.37
    ethyl propionate 263.83
    nitromethane 864.96
    1,2-diethoxyethane 380.69
    benzonitrile 406.55
    trioctyl phosphate 91.37
    1-bromopropane 511.54
    gamma-valerolactone 1112.63
    n-decanol 118.18
    triethyl phosphate 108.34
    4-methyl-2-pentanol 242.35
    propionitrile 932.43
    vinylene carbonate 529.23
    1,1,2-trichlorotrifluoroethane 467.26
    DMS 242.35
    cumene 109.03
    2-octanol 132.65
    2-hexanone 240.0
    octyl acetate 145.44
    limonene 164.61
    1,2-dimethoxyethane 599.43
    ethyl orthosilicate 105.7
    tributyl phosphate 99.85
    diacetone alcohol 415.42
    N,N-dimethylaniline 173.63
    acrylonitrile 955.8
    aniline 459.0
    1,3-propanediol 720.51
    bromobenzene 461.36
    dibromomethane 866.43
    1,1,2,2-tetrachloroethane 759.67
    2-methyl-cyclohexyl acetate 171.07
    tetrabutyl urea 117.41
    diisobutyl methanol 149.41
    2-phenylethanol 342.46
    styrene 172.83
    dioctyl adipate 125.05
    dimethyl sulfate 286.37
    ethyl butyrate 269.78
    methyl lactate 274.1
    butyl lactate 170.26
    diethyl carbonate 173.13
    propanediol butyl ether 275.08
    triethyl orthoformate 171.2
    p-tert-butyltoluene 139.57
    methyl 4-tert-butylbenzoate 238.6
    morpholine 1440.29
    tert-butylamine 565.01
    n-dodecanol 89.43
    dimethoxymethane 920.65
    ethylene carbonate 490.13
    cyrene 199.43
    2-ethoxyethyl acetate 326.51
    2-ethylhexyl acetate 243.71
    1,2,4-trichlorobenzene 346.1
    4-methylpyridine 684.74
    dibutyl ether 156.31
    2,6-dimethyl-4-heptanol 149.41
    DEF 406.94
    dimethyl isosorbide 403.41
    tetrachloroethylene 516.37
    eugenol 239.47
    triacetin 213.24
    span 80 217.29
    1,4-butanediol 196.33
    1,1-dichloroethane 974.09
    2-methyl-1-pentanol 186.28
    methyl formate 595.74
    2-methyl-1-butanol 395.47
    n-decane 30.45
    butyronitrile 876.39
    3,7-dimethyl-1-octanol 167.31
    1-chlorooctane 115.05
    1-chlorotetradecane 48.26
    n-nonane 28.48
    undecane 23.41
    tert-butylcyclohexane 34.98
    cyclooctane 32.69
    cyclopentanol 481.72
    tetrahydropyran 1111.3
    tert-amyl methyl ether 275.79
    2,5,8-trioxanonane 411.4
    1-hexene 90.85
    2-isopropoxyethanol 290.67
    2,2,2-trifluoroethanol 234.59
    methyl butyrate 295.66

    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