4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5-(2-propenyloxy)-

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  • Identifiers

    CAS number
    2279-18-7

    Molecular formula
    C13H18O

    SMILES
    C=CCOC1CC2CC1C3C2CC=C3

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 90.77%
    Herbal 69.41%
    Floral 69.34%
    Woody 62.59%
    Green 47.9%
    Fresh 38.03%
    Sweet 37.13%
    Jasmin 36.02%
    Anisic 31.17%
    Spicy 30.61%

     

    Flavor
    Bitter 43.8%
    Alkaline 22.21%
    Shrimp 21.88%
    Cedarleaf 20.56%
    Cauliflower 20.25%
    Cereal 20.07%
    Terpentine 19.99%
    Nitrile 19.9%
    Floral 19.89%
    Green tea 19.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.55 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 87.95 ˚C est.

  • Synonyms

    • 2279-18-7
    • 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5-(2-propenyloxy)-
    • 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5(or 6)-(2-propenyloxy)-
    • 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5-(2-propen-1-yloxy)-
    • 26912-64-1
    • EINECS 218-908-2
    • EC 430-830-2
    • Hexahydro-4,7-methanoinden-5(or 6)-propenyl ether
    • SCHEMBL3504651
    • DTXSID30865326
    • QFRXRJATKANZGZ-UHFFFAOYSA-N
    • 5-(Allyloxy)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene
    • 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5(or 6)(2-propen-1-yloxy)-
    • NS00003601
    • 9-(2-Propenyloxy)tricyclo(5.2.1.0(2,6))dec-3(or-4-)-ene

  • Applications

    Applications of 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5-(2-propenyloxy)- (CAS 2279-18-7) are centered on its role as a functional precursor and monomer for polymers and specialty materials. In polymer chemistry, the compound may be used as a monomer or comonomer in ROMP (ring-opening metathesis polymerization) to produce functional poly(norbornene) materials, meeting requirements for thermal stability and high mechanical properties. The allyloxy group can participate in crosslinking, making it a candidate for use in coatings or adhesive systems with reactive crosslinking. Additionally, its rigid bicyclic framework makes it a suitable intermediate for synthesis of more complex bicyclic derivatives in high-performance materials and specialty resins, or as an intermediate in organic synthesis for industrial applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1123.48
    methanol 1057.65
    isopropanol 1060.37
    water 3.02
    ethyl acetate 1295.89
    n-propanol 936.19
    acetone 799.92
    n-butanol 1165.0
    acetonitrile 878.88
    DMF 380.58
    toluene 1142.87
    isobutanol 758.71
    1,4-dioxane 2354.35
    methyl acetate 757.48
    THF 1990.33
    2-butanone 691.62
    n-pentanol 649.13
    sec-butanol 668.81
    n-hexane 185.25
    ethylene glycol 180.35
    NMP 242.1
    cyclohexane 489.65
    DMSO 537.48
    n-butyl acetate 875.08
    n-octanol 290.31
    chloroform 3372.91
    n-propyl acetate 612.95
    acetic acid 692.87
    dichloromethane 2464.87
    cyclohexanone 912.87
    propylene glycol 276.11
    isopropyl acetate 911.56
    DMAc 341.86
    2-ethoxyethanol 863.81
    isopentanol 1124.17
    n-heptane 173.9
    ethyl formate 678.06
    1,2-dichloroethane 1303.59
    n-hexanol 845.47
    2-methoxyethanol 1205.08
    isobutyl acetate 480.13
    tetrachloromethane 598.67
    n-pentyl acetate 382.2
    transcutol 2973.92
    n-heptanol 310.93
    ethylbenzene 377.97
    MIBK 671.86
    2-propoxyethanol 1266.18
    tert-butanol 991.25
    MTBE 980.97
    2-butoxyethanol 586.22
    propionic acid 476.14
    o-xylene 447.69
    formic acid 218.07
    diethyl ether 1710.18
    m-xylene 654.03
    p-xylene 410.1
    chlorobenzene 919.18
    dimethyl carbonate 331.54
    n-octane 64.48
    formamide 276.05
    cyclopentanone 708.73
    2-pentanone 825.01
    anisole 654.27
    cyclopentyl methyl ether 954.6
    gamma-butyrolactone 786.5
    1-methoxy-2-propanol 1079.42
    pyridine 1429.68
    3-pentanone 523.37
    furfural 811.23
    n-dodecane 54.17
    diethylene glycol 822.5
    diisopropyl ether 560.05
    tert-amyl alcohol 573.31
    acetylacetone 825.94
    n-hexadecane 61.04
    acetophenone 437.05
    methyl propionate 626.58
    isopentyl acetate 801.71
    trichloroethylene 1938.0
    n-nonanol 262.53
    cyclohexanol 827.18
    benzyl alcohol 510.48
    2-ethylhexanol 470.48
    isooctanol 267.4
    dipropyl ether 686.05
    1,2-dichlorobenzene 655.87
    ethyl lactate 266.53
    propylene carbonate 666.16
    n-methylformamide 338.12
    2-pentanol 811.36
    n-pentane 314.19
    1-propoxy-2-propanol 858.83
    1-methoxy-2-propyl acetate 822.14
    2-(2-methoxypropoxy) propanol 491.51
    mesitylene 399.29
    ε-caprolactone 816.29
    p-cymene 246.13
    epichlorohydrin 1259.88
    1,1,1-trichloroethane 1247.5
    2-aminoethanol 398.27
    morpholine-4-carbaldehyde 664.8
    sulfolane 486.92
    2,2,4-trimethylpentane 116.77
    2-methyltetrahydrofuran 1269.67
    n-hexyl acetate 508.91
    isooctane 156.56
    2-(2-butoxyethoxy)ethanol 745.59
    sec-butyl acetate 512.64
    tert-butyl acetate 757.07
    decalin 145.08
    glycerin 356.91
    diglyme 1408.58
    acrylic acid 369.23
    isopropyl myristate 228.49
    n-butyric acid 1074.65
    acetyl acetate 801.67
    di(2-ethylhexyl) phthalate 189.57
    ethyl propionate 514.71
    nitromethane 674.6
    1,2-diethoxyethane 1260.56
    benzonitrile 735.17
    trioctyl phosphate 138.08
    1-bromopropane 1142.51
    gamma-valerolactone 1021.32
    n-decanol 200.92
    triethyl phosphate 219.62
    4-methyl-2-pentanol 579.8
    propionitrile 851.33
    vinylene carbonate 684.66
    1,1,2-trichlorotrifluoroethane 704.15
    DMS 376.64
    cumene 253.15
    2-octanol 195.62
    2-hexanone 485.87
    octyl acetate 245.55
    limonene 320.14
    1,2-dimethoxyethane 1386.05
    ethyl orthosilicate 250.43
    tributyl phosphate 181.79
    diacetone alcohol 590.88
    N,N-dimethylaniline 340.84
    acrylonitrile 749.52
    aniline 878.7
    1,3-propanediol 752.75
    bromobenzene 1122.08
    dibromomethane 1805.88
    1,1,2,2-tetrachloroethane 1502.66
    2-methyl-cyclohexyl acetate 375.35
    tetrabutyl urea 182.75
    diisobutyl methanol 341.57
    2-phenylethanol 557.19
    styrene 503.73
    dioctyl adipate 255.47
    dimethyl sulfate 241.35
    ethyl butyrate 618.97
    methyl lactate 319.74
    butyl lactate 283.3
    diethyl carbonate 407.53
    propanediol butyl ether 426.92
    triethyl orthoformate 453.69
    p-tert-butyltoluene 236.16
    methyl 4-tert-butylbenzoate 328.61
    morpholine 1939.85
    tert-butylamine 810.4
    n-dodecanol 166.43
    dimethoxymethane 968.09
    ethylene carbonate 720.41
    cyrene 303.82
    2-ethoxyethyl acetate 600.83
    2-ethylhexyl acetate 562.45
    1,2,4-trichlorobenzene 634.87
    4-methylpyridine 1145.94
    dibutyl ether 503.0
    2,6-dimethyl-4-heptanol 341.57
    DEF 538.56
    dimethyl isosorbide 629.08
    tetrachloroethylene 1030.18
    eugenol 330.73
    triacetin 431.0
    span 80 361.92
    1,4-butanediol 297.68
    1,1-dichloroethane 1577.8
    2-methyl-1-pentanol 578.74
    methyl formate 307.42
    2-methyl-1-butanol 767.98
    n-decane 84.81
    butyronitrile 1113.29
    3,7-dimethyl-1-octanol 361.99
    1-chlorooctane 238.45
    1-chlorotetradecane 114.46
    n-nonane 84.55
    undecane 64.47
    tert-butylcyclohexane 129.17
    cyclooctane 191.36
    cyclopentanol 588.19
    tetrahydropyran 2062.99
    tert-amyl methyl ether 546.68
    2,5,8-trioxanonane 840.83
    1-hexene 469.7
    2-isopropoxyethanol 660.77
    2,2,2-trifluoroethanol 281.72
    methyl butyrate 626.26

    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