Octahydrodimethyl-2,5-methano-2H-indeno[1,2-b]oxirene

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  • Identifiers

    CAS number
    94021-60-0

    Molecular formula
    C12H18O

    SMILES
    CC12CC3C4CCC(C4)C3C1(O2)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.13%
    Fruity 52.67%
    Fresh 45.73%
    Herbal 42.09%
    Floral 41.76%
    Spicy 36.29%
    Earthy 36.22%
    Green 34.57%
    Amber 32.97%
    Cedar 30.17%

     

    Flavor
    Fruity 36.47%
    Earthy 36.3%
    Sweet 35.71%
    Fruit 32.88%
    Herbal 31.76%
    Green 29.3%
    Woody 27.09%
    Fir needle 25.19%
    Herb 24.64%
    Patchouli 23.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.8 (neutral)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    228°C

    Flash point

    • 73.57 ˚C est.

  • Synonyms

    • OCTAHYDRODIMETHYL-2,5-METHANO-2H-INDENO[1,2-B]OXIRENE
    • EINECS 301-455-0
    • Octahydrodimethyl-2,5-methano-2H-indeno(1,2-b)oxirene
    • 2,5-Methano-2H-indeno(1,2-b)oxirene, octahydrodimethyl-
    • 2,5-Methano-2H-indeno[1,2-b]oxirene, octahydrodimethyl-
    • RefChem:167756
    • 301-455-0
    • 94021-60-0
    • DTXSID40869173
    • PALRMMBVTSAXSM-UHFFFAOYSA-N
    • 1a,6a-Dimethyloctahydro-1aH-2,5-methanoindeno[1,2-b]oxirene
    • 94021-60-0

  • Applications

    Octahydrodimethyl-2,5-methano-2H-indeno[1,2-b]oxirene (CAS 94021-60-0) is primarily used as an organic synthesis intermediate and as a building block for specialty polymers and epoxy-based materials. In industrial formulations, it may function as a monomer or a crosslinking agent in epoxy systems, contributing to coatings and adhesive formulations with improved rigidity and mechanical performance. It can also be employed as a reactive diluent to adjust viscosity in epoxy formulations. Owing to its strained ring framework, it is of interest as a precursor for high-performance polymers intended for electronics and other advanced materials. Its use is typically evaluated within local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 540.7
    methanol 644.59
    isopropanol 557.08
    water 6.53
    ethyl acetate 623.14
    n-propanol 506.16
    acetone 876.6
    n-butanol 447.82
    acetonitrile 671.11
    DMF 675.62
    toluene 437.46
    isobutanol 373.07
    1,4-dioxane 1239.17
    methyl acetate 662.21
    THF 1680.53
    2-butanone 629.87
    n-pentanol 243.02
    sec-butanol 350.97
    n-hexane 59.56
    ethylene glycol 219.07
    NMP 336.87
    cyclohexane 123.76
    DMSO 486.79
    n-butyl acetate 317.04
    n-octanol 171.98
    chloroform 1585.32
    n-propyl acetate 312.23
    acetic acid 320.36
    dichloromethane 1193.84
    cyclohexanone 649.67
    propylene glycol 250.73
    isopropyl acetate 471.21
    DMAc 442.05
    2-ethoxyethanol 464.48
    isopentanol 363.32
    n-heptane 49.65
    ethyl formate 342.99
    1,2-dichloroethane 659.09
    n-hexanol 345.59
    2-methoxyethanol 846.06
    isobutyl acetate 245.82
    tetrachloromethane 281.72
    n-pentyl acetate 229.16
    transcutol 953.16
    n-heptanol 171.24
    ethylbenzene 197.14
    MIBK 381.84
    2-propoxyethanol 719.06
    tert-butanol 475.51
    MTBE 517.16
    2-butoxyethanol 349.57
    propionic acid 344.82
    o-xylene 229.82
    formic acid 167.72
    diethyl ether 664.55
    m-xylene 301.26
    p-xylene 246.62
    chlorobenzene 413.6
    dimethyl carbonate 318.96
    n-octane 27.8
    formamide 264.76
    cyclopentanone 888.03
    2-pentanone 541.74
    anisole 393.87
    cyclopentyl methyl ether 613.59
    gamma-butyrolactone 824.62
    1-methoxy-2-propanol 700.05
    pyridine 697.8
    3-pentanone 431.8
    furfural 587.94
    n-dodecane 26.11
    diethylene glycol 581.85
    diisopropyl ether 233.3
    tert-amyl alcohol 294.62
    acetylacetone 650.75
    n-hexadecane 29.78
    acetophenone 281.07
    methyl propionate 513.54
    isopentyl acetate 308.33
    trichloroethylene 1025.71
    n-nonanol 154.75
    cyclohexanol 356.44
    benzyl alcohol 263.75
    2-ethylhexanol 166.88
    isooctanol 145.24
    dipropyl ether 260.95
    1,2-dichlorobenzene 344.09
    ethyl lactate 196.57
    propylene carbonate 403.76
    n-methylformamide 464.83
    2-pentanol 313.69
    n-pentane 80.17
    1-propoxy-2-propanol 439.43
    1-methoxy-2-propyl acetate 477.57
    2-(2-methoxypropoxy) propanol 277.5
    mesitylene 203.06
    ε-caprolactone 521.91
    p-cymene 114.67
    epichlorohydrin 959.69
    1,1,1-trichloroethane 643.43
    2-aminoethanol 322.43
    morpholine-4-carbaldehyde 609.74
    sulfolane 566.49
    2,2,4-trimethylpentane 41.02
    2-methyltetrahydrofuran 777.12
    n-hexyl acetate 326.1
    isooctane 47.31
    2-(2-butoxyethoxy)ethanol 382.07
    sec-butyl acetate 248.44
    tert-butyl acetate 418.98
    decalin 57.51
    glycerin 341.04
    diglyme 719.83
    acrylic acid 294.63
    isopropyl myristate 146.34
    n-butyric acid 395.74
    acetyl acetate 414.99
    di(2-ethylhexyl) phthalate 118.02
    ethyl propionate 318.16
    nitromethane 721.96
    1,2-diethoxyethane 393.7
    benzonitrile 354.98
    trioctyl phosphate 98.42
    1-bromopropane 448.84
    gamma-valerolactone 947.78
    n-decanol 119.93
    triethyl phosphate 128.49
    4-methyl-2-pentanol 224.41
    propionitrile 574.68
    vinylene carbonate 428.62
    1,1,2-trichlorotrifluoroethane 497.97
    DMS 357.26
    cumene 137.82
    2-octanol 126.25
    2-hexanone 312.39
    octyl acetate 163.79
    limonene 138.1
    1,2-dimethoxyethane 735.66
    ethyl orthosilicate 129.28
    tributyl phosphate 117.68
    diacetone alcohol 384.11
    N,N-dimethylaniline 213.3
    acrylonitrile 596.76
    aniline 377.0
    1,3-propanediol 461.93
    bromobenzene 441.27
    dibromomethane 770.55
    1,1,2,2-tetrachloroethane 813.0
    2-methyl-cyclohexyl acetate 189.07
    tetrabutyl urea 129.39
    diisobutyl methanol 144.06
    2-phenylethanol 286.13
    styrene 223.74
    dioctyl adipate 155.59
    dimethyl sulfate 317.48
    ethyl butyrate 238.61
    methyl lactate 290.6
    butyl lactate 184.03
    diethyl carbonate 177.87
    propanediol butyl ether 293.48
    triethyl orthoformate 194.68
    p-tert-butyltoluene 121.3
    methyl 4-tert-butylbenzoate 240.74
    morpholine 1046.87
    tert-butylamine 333.37
    n-dodecanol 95.37
    dimethoxymethane 837.22
    ethylene carbonate 406.69
    cyrene 220.51
    2-ethoxyethyl acetate 362.91
    2-ethylhexyl acetate 232.6
    1,2,4-trichlorobenzene 365.54
    4-methylpyridine 597.58
    dibutyl ether 209.91
    2,6-dimethyl-4-heptanol 144.06
    DEF 357.53
    dimethyl isosorbide 375.33
    tetrachloroethylene 525.71
    eugenol 231.08
    triacetin 308.25
    span 80 229.58
    1,4-butanediol 187.56
    1,1-dichloroethane 761.52
    2-methyl-1-pentanol 197.04
    methyl formate 416.08
    2-methyl-1-butanol 293.43
    n-decane 40.74
    butyronitrile 464.58
    3,7-dimethyl-1-octanol 179.9
    1-chlorooctane 131.8
    1-chlorotetradecane 61.49
    n-nonane 39.42
    undecane 31.68
    tert-butylcyclohexane 54.5
    cyclooctane 55.26
    cyclopentanol 405.48
    tetrahydropyran 949.86
    tert-amyl methyl ether 306.4
    2,5,8-trioxanonane 419.97
    1-hexene 174.24
    2-isopropoxyethanol 344.53
    2,2,2-trifluoroethanol 216.42
    methyl butyrate 340.36

    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