4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-

  • Identifiers

    Molecular formula
    C12H18O

    SMILES
    CC1C2C3CC(C2C=C1C)C(C3)O

  • Odor profile

    Fragrance
    Woody 76.4%
    Herbal 61.15%
    Spicy 55.53%
    Earthy 44.39%
    Balsamic 39.76%
    Camphoreous 35.95%
    Sweet 33.76%
    Mint 32.5%
    Fresh 32.18%
    Pine 29.47%

     

    Flavor
    Herbal 39.22%
    Bitter 36.0%
    Herb 34.61%
    Fruity 27.55%
    Fruit 26.79%
    Fresh 26.0%
    Fatty 24.15%
    Cedarleaf 23.53%
    Green tea 22.18%
    Mentholic 21.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    9.05 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    292°C

    Flash point

    • 90.58 ˚C est.

  • Synonyms

    • 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-
    • DTXSID001015303
    • 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-2(or 3),4-dimethyl-
    • WJYPOGJOWNDSPL-UHFFFAOYSA-N
    • DTXCID301473615
    • NS00126337
  • Applications

    4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl- is a bicyclic, saturated alcohol that is frequently treated as an intermediate and fragrance-related additive in a range of industrial syntheses. In practical terms, typical applications include: 1) fragrance and cosmetics, serving as a fragrance ingredient and fixative to help stabilize aroma; 2) household and consumer goods, used as a fragrance component in cleaners, soaps, shampoos and detergents; 3) pharmaceutical and agrochemical research, acting as an intermediate or building block for more complex organic molecules; 4) polymers and plastics, used as a chiral building block or intermediate for specialty polymers; 5) flavor applications, evaluated as an aroma compound for food and beverage formulations within regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 739.04
    methanol 657.32
    isopropanol 1010.59
    water 10.7
    ethyl acetate 919.11
    n-propanol 749.78
    acetone 1521.22
    n-butanol 794.05
    acetonitrile 1300.49
    DMF 948.65
    toluene 587.64
    isobutanol 578.28
    1,4-dioxane 2062.33
    methyl acetate 859.28
    THF 2812.99
    2-butanone 895.88
    n-pentanol 223.16
    sec-butanol 420.47
    n-hexane 27.37
    ethylene glycol 179.51
    NMP 403.31
    cyclohexane 104.18
    DMSO 664.52
    n-butyl acetate 493.77
    n-octanol 199.42
    chloroform 2058.11
    n-propyl acetate 340.26
    acetic acid 434.87
    dichloromethane 1903.29
    cyclohexanone 877.67
    propylene glycol 225.75
    isopropyl acetate 591.24
    DMAc 429.28
    2-ethoxyethanol 418.26
    isopentanol 594.08
    n-heptane 51.62
    ethyl formate 648.8
    1,2-dichloroethane 952.04
    n-hexanol 427.34
    2-methoxyethanol 1069.8
    isobutyl acetate 232.4
    tetrachloromethane 342.86
    n-pentyl acetate 266.74
    transcutol 1446.01
    n-heptanol 202.36
    ethylbenzene 180.38
    MIBK 509.04
    2-propoxyethanol 807.95
    tert-butanol 856.99
    MTBE 746.44
    2-butoxyethanol 399.56
    propionic acid 389.33
    o-xylene 277.29
    formic acid 171.27
    diethyl ether 874.97
    m-xylene 389.58
    p-xylene 234.43
    chlorobenzene 533.92
    dimethyl carbonate 356.07
    n-octane 24.64
    formamide 351.42
    cyclopentanone 1296.66
    2-pentanone 791.57
    anisole 405.93
    cyclopentyl methyl ether 711.77
    gamma-butyrolactone 1344.94
    1-methoxy-2-propanol 867.41
    pyridine 1022.0
    3-pentanone 487.62
    furfural 817.47
    n-dodecane 23.73
    diethylene glycol 600.01
    diisopropyl ether 256.22
    tert-amyl alcohol 347.21
    acetylacetone 861.51
    n-hexadecane 27.59
    acetophenone 292.29
    methyl propionate 607.64
    isopentyl acetate 448.72
    trichloroethylene 1432.46
    n-nonanol 173.98
    cyclohexanol 441.18
    benzyl alcohol 283.41
    2-ethylhexanol 203.97
    isooctanol 163.59
    dipropyl ether 349.49
    1,2-dichlorobenzene 410.49
    ethyl lactate 171.0
    propylene carbonate 581.85
    n-methylformamide 659.83
    2-pentanol 427.68
    n-pentane 67.63
    1-propoxy-2-propanol 521.35
    1-methoxy-2-propyl acetate 545.59
    2-(2-methoxypropoxy) propanol 318.32
    mesitylene 235.8
    ε-caprolactone 664.4
    p-cymene 153.29
    epichlorohydrin 1483.65
    1,1,1-trichloroethane 939.65
    2-aminoethanol 325.04
    morpholine-4-carbaldehyde 776.43
    sulfolane 730.99
    2,2,4-trimethylpentane 31.65
    2-methyltetrahydrofuran 1127.68
    n-hexyl acetate 357.39
    isooctane 43.67
    2-(2-butoxyethoxy)ethanol 510.69
    sec-butyl acetate 233.89
    tert-butyl acetate 522.01
    decalin 40.44
    glycerin 313.52
    diglyme 999.01
    acrylic acid 329.57
    isopropyl myristate 160.32
    n-butyric acid 720.85
    acetyl acetate 557.36
    di(2-ethylhexyl) phthalate 146.21
    ethyl propionate 314.73
    nitromethane 1120.78
    1,2-diethoxyethane 572.09
    benzonitrile 480.16
    trioctyl phosphate 111.28
    1-bromopropane 582.75
    gamma-valerolactone 1306.81
    n-decanol 131.22
    triethyl phosphate 132.89
    4-methyl-2-pentanol 269.93
    propionitrile 926.04
    vinylene carbonate 639.81
    1,1,2-trichlorotrifluoroethane 541.19
    DMS 312.55
    cumene 125.64
    2-octanol 131.31
    2-hexanone 288.21
    octyl acetate 181.46
    limonene 187.46
    1,2-dimethoxyethane 759.98
    ethyl orthosilicate 130.93
    tributyl phosphate 127.42
    diacetone alcohol 466.41
    N,N-dimethylaniline 196.72
    acrylonitrile 888.58
    aniline 524.66
    1,3-propanediol 639.2
    bromobenzene 571.6
    dibromomethane 1116.3
    1,1,2,2-tetrachloroethane 891.75
    2-methyl-cyclohexyl acetate 225.38
    tetrabutyl urea 145.48
    diisobutyl methanol 173.42
    2-phenylethanol 344.53
    styrene 214.52
    dioctyl adipate 182.36
    dimethyl sulfate 347.48
    ethyl butyrate 334.07
    methyl lactate 283.92
    butyl lactate 205.19
    diethyl carbonate 222.69
    propanediol butyl ether 320.54
    triethyl orthoformate 218.56
    p-tert-butyltoluene 158.34
    methyl 4-tert-butylbenzoate 291.06
    morpholine 1575.94
    tert-butylamine 517.89
    n-dodecanol 101.96
    dimethoxymethane 1095.59
    ethylene carbonate 586.37
    cyrene 246.65
    2-ethoxyethyl acetate 429.89
    2-ethylhexyl acetate 303.02
    1,2,4-trichlorobenzene 421.57
    4-methylpyridine 857.59
    dibutyl ether 250.96
    2,6-dimethyl-4-heptanol 173.42
    DEF 464.07
    dimethyl isosorbide 513.0
    tetrachloroethylene 566.91
    eugenol 274.91
    triacetin 320.69
    span 80 261.72
    1,4-butanediol 160.14
    1,1-dichloroethane 1155.07
    2-methyl-1-pentanol 193.21
    methyl formate 599.22
    2-methyl-1-butanol 403.29
    n-decane 38.66
    butyronitrile 885.79
    3,7-dimethyl-1-octanol 199.53
    1-chlorooctane 136.67
    1-chlorotetradecane 59.74
    n-nonane 35.31
    undecane 29.52
    tert-butylcyclohexane 39.39
    cyclooctane 43.68
    cyclopentanol 531.58
    tetrahydropyran 1468.35
    tert-amyl methyl ether 297.16
    2,5,8-trioxanonane 577.51
    1-hexene 107.02
    2-isopropoxyethanol 307.8
    2,2,2-trifluoroethanol 257.54
    methyl butyrate 356.33

    Scent© AI

1 of 4
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