4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5-methoxy-

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  • Identifiers

    CAS number
    53018-24-9

    Molecular formula
    C11H16O

    SMILES
    COC1CC2CC1C3C2CC=C3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 83.82%
    Herbal 76.34%
    Green 60.52%
    Woody 58.31%
    Floral 56.0%
    Sweet 55.37%
    Fresh 40.63%
    Anisic 35.61%
    Spicy 35.14%
    Oily 28.47%

     

    Flavor
    Bitter 33.87%
    Fruity 25.77%
    Herbal 23.87%
    Animal 23.5%
    Alkaline 23.41%
    Fruit 22.75%
    Shrimp 22.11%
    Herb 21.94%
    Cedarleaf 21.23%
    Cereal 20.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.43 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 64.99 ˚C est.

  • Synonyms

    • 53018-24-9
    • 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5-methoxy-
    • EINECS 258-296-4
    • Verdalia A
    • 9-methoxytricyclo[5.2.1.02,6]dec-3-ene
    • 3a,4,5,6,7,7a-Hexahydro-5-methoxy-4,7-methano-1H-indene
    • DTXSID10866295
    • Hexahydro-4,7-methanoinden-5(or 6)-yl methyl ether
    • 5-Methoxy-3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indene
    • 5-Methoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene
    • tropical indene
    • M5JM8KNA8T
    • SCHEMBL1357894
    • DTXCID50814593
    • QGIIMMFKVVKYGH-UHFFFAOYSA-N
    • DCA01824
    • FAA39995
    • NS00012547
    • 258-296-4

  • Applications

    The compound 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-5-methoxy- (CAS 53018-24-9) is commonly evaluated as a synthetic intermediate and building block in chemical manufacturing; in fragrance chemistry it serves as a scaffold for cyclic derivatives and may function as a fragrance component in cosmetics and personal care; in pharmaceutical and agrochemical R&D it provides routes to more complex cyclic structures; in polymers and materials science it supports the development of specialty cyclic hydrocarbon motifs used in coatings and advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 654.39
    methanol 725.38
    isopropanol 540.53
    water 12.08
    ethyl acetate 611.27
    n-propanol 543.3
    acetone 466.58
    n-butanol 606.71
    acetonitrile 744.21
    DMF 347.81
    toluene 759.77
    isobutanol 427.47
    1,4-dioxane 1369.66
    methyl acetate 449.48
    THF 1110.16
    2-butanone 415.46
    n-pentanol 311.25
    sec-butanol 341.66
    n-hexane 67.96
    ethylene glycol 191.58
    NMP 239.55
    cyclohexane 244.25
    DMSO 388.2
    n-butyl acetate 426.44
    n-octanol 192.77
    chloroform 2494.72
    n-propyl acetate 284.28
    acetic acid 510.95
    dichloromethane 1999.83
    cyclohexanone 582.14
    propylene glycol 210.11
    isopropyl acetate 372.25
    DMAc 253.6
    2-ethoxyethanol 473.63
    isopentanol 503.49
    n-heptane 109.14
    ethyl formate 459.15
    1,2-dichloroethane 818.77
    n-hexanol 496.5
    2-methoxyethanol 789.15
    isobutyl acetate 211.1
    tetrachloromethane 506.64
    n-pentyl acetate 207.12
    transcutol 1395.81
    n-heptanol 206.54
    ethylbenzene 238.88
    MIBK 308.24
    2-propoxyethanol 675.24
    tert-butanol 515.24
    MTBE 408.65
    2-butoxyethanol 358.5
    propionic acid 352.68
    o-xylene 326.62
    formic acid 235.71
    diethyl ether 596.82
    m-xylene 431.69
    p-xylene 276.31
    chlorobenzene 665.55
    dimethyl carbonate 213.38
    n-octane 39.56
    formamide 297.13
    cyclopentanone 536.64
    2-pentanone 397.52
    anisole 399.34
    cyclopentyl methyl ether 504.57
    gamma-butyrolactone 613.62
    1-methoxy-2-propanol 614.89
    pyridine 978.5
    3-pentanone 285.69
    furfural 651.09
    n-dodecane 39.13
    diethylene glycol 566.66
    diisopropyl ether 214.92
    tert-amyl alcohol 284.68
    acetylacetone 422.85
    n-hexadecane 43.92
    acetophenone 295.69
    methyl propionate 365.7
    isopentyl acetate 375.13
    trichloroethylene 1395.99
    n-nonanol 173.45
    cyclohexanol 486.94
    benzyl alcohol 336.95
    2-ethylhexanol 264.2
    isooctanol 166.31
    dipropyl ether 340.29
    1,2-dichlorobenzene 505.65
    ethyl lactate 169.91
    propylene carbonate 470.49
    n-methylformamide 342.52
    2-pentanol 359.34
    n-pentane 132.5
    1-propoxy-2-propanol 462.07
    1-methoxy-2-propyl acetate 412.25
    2-(2-methoxypropoxy) propanol 297.54
    mesitylene 267.37
    ε-caprolactone 488.33
    p-cymene 180.67
    epichlorohydrin 829.65
    1,1,1-trichloroethane 906.38
    2-aminoethanol 332.52
    morpholine-4-carbaldehyde 528.53
    sulfolane 410.85
    2,2,4-trimethylpentane 57.68
    2-methyltetrahydrofuran 692.09
    n-hexyl acetate 278.08
    isooctane 73.68
    2-(2-butoxyethoxy)ethanol 441.42
    sec-butyl acetate 212.75
    tert-butyl acetate 321.2
    decalin 79.62
    glycerin 279.58
    diglyme 854.84
    acrylic acid 323.5
    isopropyl myristate 138.08
    n-butyric acid 603.11
    acetyl acetate 435.66
    di(2-ethylhexyl) phthalate 131.4
    ethyl propionate 255.67
    nitromethane 568.21
    1,2-diethoxyethane 525.49
    benzonitrile 543.89
    trioctyl phosphate 97.14
    1-bromopropane 618.06
    gamma-valerolactone 673.84
    n-decanol 133.84
    triethyl phosphate 148.1
    4-methyl-2-pentanol 262.81
    propionitrile 607.95
    vinylene carbonate 532.75
    1,1,2-trichlorotrifluoroethane 508.62
    DMS 221.36
    cumene 166.97
    2-octanol 122.1
    2-hexanone 239.51
    octyl acetate 155.58
    limonene 212.45
    1,2-dimethoxyethane 674.95
    ethyl orthosilicate 154.41
    tributyl phosphate 117.17
    diacetone alcohol 301.22
    N,N-dimethylaniline 224.2
    acrylonitrile 638.44
    aniline 578.91
    1,3-propanediol 517.74
    bromobenzene 797.5
    dibromomethane 1370.64
    1,1,2,2-tetrachloroethane 980.81
    2-methyl-cyclohexyl acetate 228.87
    tetrabutyl urea 127.04
    diisobutyl methanol 191.26
    2-phenylethanol 369.22
    styrene 309.32
    dioctyl adipate 163.76
    dimethyl sulfate 187.74
    ethyl butyrate 323.63
    methyl lactate 214.16
    butyl lactate 165.94
    diethyl carbonate 239.06
    propanediol butyl ether 270.76
    triethyl orthoformate 240.25
    p-tert-butyltoluene 173.18
    methyl 4-tert-butylbenzoate 240.33
    morpholine 1108.22
    tert-butylamine 412.0
    n-dodecanol 110.3
    dimethoxymethane 566.75
    ethylene carbonate 496.63
    cyrene 223.49
    2-ethoxyethyl acetate 311.87
    2-ethylhexyl acetate 282.48
    1,2,4-trichlorobenzene 504.42
    4-methylpyridine 756.9
    dibutyl ether 233.0
    2,6-dimethyl-4-heptanol 191.26
    DEF 308.0
    dimethyl isosorbide 418.38
    tetrachloroethylene 718.12
    eugenol 247.26
    triacetin 264.98
    span 80 238.21
    1,4-butanediol 207.33
    1,1-dichloroethane 979.23
    2-methyl-1-pentanol 263.37
    methyl formate 291.95
    2-methyl-1-butanol 374.54
    n-decane 57.3
    butyronitrile 675.98
    3,7-dimethyl-1-octanol 203.62
    1-chlorooctane 153.46
    1-chlorotetradecane 77.24
    n-nonane 55.39
    undecane 46.03
    tert-butylcyclohexane 67.87
    cyclooctane 102.41
    cyclopentanol 410.86
    tetrahydropyran 1008.05
    tert-amyl methyl ether 238.1
    2,5,8-trioxanonane 527.81
    1-hexene 183.63
    2-isopropoxyethanol 327.84
    2,2,2-trifluoroethanol 245.84
    methyl butyrate 299.32

    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