2-(7-Isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane

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  • Identifiers

    CAS number
    94087-23-7

    Molecular formula
    C15H24O2

    SMILES
    CC1=CC2C(CC1CC2C(C)C)C3OCCO3

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 82.25%
    Floral 72.76%
    Woody 72.21%
    Herbal 48.82%
    Fresh 44.71%
    Spicy 37.05%
    Rose 33.61%
    Muguet 31.94%
    Aldehydic 31.89%
    Lily 30.03%

     

    Flavor
    Herbal 37.14%
    Green 32.08%
    Herb 30.9%
    Spice 27.55%
    Wood 25.55%
    Fatty 24.16%
    Bitter 23.78%
    Cedarleaf 22.88%
    Fresh 22.34%
    Green tea 21.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.59 (neutral)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 114.19 ˚C est.

  • Synonyms

    • 94087-23-7
    • EINECS 301-916-6
    • 2-(7-Isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane
    • 2-[7-ISOPROPYL-5-METHYLBICYCLO[2.2.2]OCT-5-EN-2-YL]-1,3-DIOXOLANE
    • ivy dioxolane
    • 2-(7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-yl)-1,3-dioxolane
    • SCHEMBL25371315
    • DTXSID10869180
    • ONCMKWFWHACURX-UHFFFAOYSA-N
    • NS00064005
    • 2-[5-methyl-7-(propan-2-yl)bicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane
    • 301-916-6

  • Applications

    2-(7-Isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane, CAS 94087-23-7, is primarily viewed as an organic-synthesis intermediate. The 1,3-dioxolane moiety serves as a carbonyl-protecting group, enabling multi-step sequences without interference from other reactive sites. The rigid bicyclo[2.2.2]oct-5-en framework provides a bulky, stereochemically defined building block suitable for elaboration into more complex bicyclic or chiral compounds. In practice, it may be used as an intermediate in pharmaceutical and agrochemical development, as a precursor for specialty polymers or coatings via functionalization of the alkene, and as a fragrance/aroma intermediate or scaffold in perfumery research, with potential use as a chiral or asymmetric building block in synthesis. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 311.45
    methanol 250.61
    isopropanol 297.87
    water 3.85
    ethyl acetate 487.74
    n-propanol 304.44
    acetone 436.91
    n-butanol 367.43
    acetonitrile 317.08
    DMF 263.27
    toluene 436.58
    isobutanol 245.6
    1,4-dioxane 875.52
    methyl acetate 341.62
    THF 903.98
    2-butanone 337.28
    n-pentanol 142.38
    sec-butanol 176.85
    n-hexane 21.1
    ethylene glycol 70.46
    NMP 233.22
    cyclohexane 111.79
    DMSO 219.89
    n-butyl acetate 306.28
    n-octanol 112.36
    chloroform 1919.04
    n-propyl acetate 204.91
    acetic acid 360.1
    dichloromethane 1367.85
    cyclohexanone 561.17
    propylene glycol 82.77
    isopropyl acetate 359.76
    DMAc 244.32
    2-ethoxyethanol 247.13
    isopentanol 333.05
    n-heptane 25.07
    ethyl formate 262.77
    1,2-dichloroethane 691.91
    n-hexanol 222.08
    2-methoxyethanol 438.49
    isobutyl acetate 174.64
    tetrachloromethane 281.49
    n-pentyl acetate 196.87
    transcutol 988.02
    n-heptanol 128.29
    ethylbenzene 140.72
    MIBK 253.3
    2-propoxyethanol 407.08
    tert-butanol 271.09
    MTBE 282.94
    2-butoxyethanol 268.5
    propionic acid 220.61
    o-xylene 215.97
    formic acid 113.21
    diethyl ether 417.17
    m-xylene 271.0
    p-xylene 188.52
    chlorobenzene 450.87
    dimethyl carbonate 166.17
    n-octane 12.82
    formamide 156.13
    cyclopentanone 520.4
    2-pentanone 332.2
    anisole 245.93
    cyclopentyl methyl ether 395.42
    gamma-butyrolactone 537.76
    1-methoxy-2-propanol 346.22
    pyridine 605.88
    3-pentanone 247.52
    furfural 513.93
    n-dodecane 14.15
    diethylene glycol 286.7
    diisopropyl ether 143.38
    tert-amyl alcohol 162.76
    acetylacetone 405.06
    n-hexadecane 16.58
    acetophenone 221.03
    methyl propionate 285.97
    isopentyl acetate 306.6
    trichloroethylene 1294.0
    n-nonanol 106.82
    cyclohexanol 325.24
    benzyl alcohol 207.08
    2-ethylhexanol 139.8
    isooctanol 108.86
    dipropyl ether 170.54
    1,2-dichlorobenzene 390.25
    ethyl lactate 114.54
    propylene carbonate 362.88
    n-methylformamide 167.18
    2-pentanol 205.55
    n-pentane 40.89
    1-propoxy-2-propanol 258.59
    1-methoxy-2-propyl acetate 347.61
    2-(2-methoxypropoxy) propanol 210.59
    mesitylene 172.38
    ε-caprolactone 447.3
    p-cymene 108.59
    epichlorohydrin 727.73
    1,1,1-trichloroethane 725.59
    2-aminoethanol 136.09
    morpholine-4-carbaldehyde 415.88
    sulfolane 374.19
    2,2,4-trimethylpentane 26.0
    2-methyltetrahydrofuran 561.92
    n-hexyl acetate 255.61
    isooctane 23.63
    2-(2-butoxyethoxy)ethanol 309.88
    sec-butyl acetate 176.66
    tert-butyl acetate 297.15
    decalin 41.47
    glycerin 141.52
    diglyme 599.53
    acrylic acid 202.34
    isopropyl myristate 108.57
    n-butyric acid 457.73
    acetyl acetate 407.03
    di(2-ethylhexyl) phthalate 108.22
    ethyl propionate 191.64
    nitromethane 439.4
    1,2-diethoxyethane 362.22
    benzonitrile 306.05
    trioctyl phosphate 79.87
    1-bromopropane 394.13
    gamma-valerolactone 669.14
    n-decanol 79.4
    triethyl phosphate 110.87
    4-methyl-2-pentanol 150.22
    propionitrile 283.59
    vinylene carbonate 399.49
    1,1,2-trichlorotrifluoroethane 424.32
    DMS 220.5
    cumene 103.01
    2-octanol 77.92
    2-hexanone 164.76
    octyl acetate 127.6
    limonene 134.91
    1,2-dimethoxyethane 390.8
    ethyl orthosilicate 114.49
    tributyl phosphate 95.4
    diacetone alcohol 246.45
    N,N-dimethylaniline 148.23
    acrylonitrile 289.91
    aniline 382.68
    1,3-propanediol 271.21
    bromobenzene 520.75
    dibromomethane 849.57
    1,1,2,2-tetrachloroethane 996.48
    2-methyl-cyclohexyl acetate 170.89
    tetrabutyl urea 104.43
    diisobutyl methanol 99.22
    2-phenylethanol 221.54
    styrene 173.32
    dioctyl adipate 143.22
    dimethyl sulfate 179.68
    ethyl butyrate 212.12
    methyl lactate 152.6
    butyl lactate 155.1
    diethyl carbonate 157.33
    propanediol butyl ether 194.21
    triethyl orthoformate 170.15
    p-tert-butyltoluene 105.47
    methyl 4-tert-butylbenzoate 201.03
    morpholine 743.21
    tert-butylamine 187.73
    n-dodecanol 63.15
    dimethoxymethane 393.51
    ethylene carbonate 370.75
    cyrene 180.11
    2-ethoxyethyl acetate 311.44
    2-ethylhexyl acetate 232.58
    1,2,4-trichlorobenzene 417.89
    4-methylpyridine 541.47
    dibutyl ether 141.73
    2,6-dimethyl-4-heptanol 99.22
    DEF 264.83
    dimethyl isosorbide 340.75
    tetrachloroethylene 669.21
    eugenol 196.3
    triacetin 256.88
    span 80 178.6
    1,4-butanediol 87.54
    1,1-dichloroethane 769.85
    2-methyl-1-pentanol 151.43
    methyl formate 161.96
    2-methyl-1-butanol 251.9
    n-decane 22.28
    butyronitrile 348.63
    3,7-dimethyl-1-octanol 119.33
    1-chlorooctane 87.93
    1-chlorotetradecane 43.2
    n-nonane 19.08
    undecane 17.17
    tert-butylcyclohexane 35.21
    cyclooctane 39.84
    cyclopentanol 271.87
    tetrahydropyran 788.52
    tert-amyl methyl ether 171.75
    2,5,8-trioxanonane 358.16
    1-hexene 70.16
    2-isopropoxyethanol 189.36
    2,2,2-trifluoroethanol 180.02
    methyl butyrate 220.83

    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