2,3,3a,4,7,7a-Hexahydro-4,7-methano-1H-indene

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  • Identifiers

    CAS number
    19398-83-5

    Molecular formula
    C10H14

    SMILES
    C1CC2C(C1)C3CC2C=C3

    Safety labels

  • Odor profile

    Fragrance
    Sweet 46.42%
    Green 41.82%
    Fresh 38.22%
    Fruity 35.83%
    Woody 34.8%
    Citrus 31.75%
    Floral 29.18%
    Herbal 28.73%
    Dry 25.49%
    Balsamic 24.48%

     

    Flavor
    Animal 29.06%
    Alkaline 21.51%
    Shrimp 20.36%
    Fir needle 18.57%
    Cereal 18.5%
    Bitter 18.31%
    Rotten 18.27%
    Sweet 18.16%
    Indole 18.1%
    Tar 18.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.78 (weak base)

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    175°C

    Flash point

    • 37.08 ˚C est.

  • Synonyms

    • 2,3,3a,4,7,7a-Hexahydro-4,7-methano-1H-indene
    • 19398-83-5
    • EINECS 243-033-8
    • RefChem:81199
    • 243-033-8
    • tricyclo[5.2.1.02,6]dec-8-ene
    • 2826-19-9
    • 2,3-Dihydro-endo-dicyclopentadiene
    • 4,7-Methano-1H-indene, 2,3,3a,4,7,7a-hexahydro-
    • SCHEMBL199996
    • SCHEMBL7538350
    • SCHEMBL7541932
    • SCHEMBL8513786
    • DTXSID70941097
    • 3a,4,7,7a-tetrahydro-4,7-methanoindane
    • NS00052485
    • 2,3,3a,4,7,7a-Hexahydro-1H-4,7-methanoindene
    • 19398-83-5

  • Applications

    2,3,3a,4,7,7a-Hexahydro-4,7-methano-1H-indene (CAS 19398-83-5) is primarily used as an intermediate in organic synthesis and as a fragrance-related ingredient; in perfumery it can function as an odorant or fragrance scaffold, in cosmetics and personal care as a fragrance component or additive, in household products as a fragrance additive, in industrial manufacturing as a building block for specialty chemicals, and in polymers/plastics as a scaffold or building block for specialty polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 504.67
    methanol 472.94
    isopropanol 399.12
    water 1.36
    ethyl acetate 1030.89
    n-propanol 479.37
    acetone 889.88
    n-butanol 523.0
    acetonitrile 641.42
    DMF 471.24
    toluene 963.34
    isobutanol 353.63
    1,4-dioxane 1672.13
    methyl acetate 700.93
    THF 2172.98
    2-butanone 713.74
    n-pentanol 291.63
    sec-butanol 326.77
    n-hexane 286.02
    ethylene glycol 103.16
    NMP 517.4
    cyclohexane 601.85
    DMSO 486.46
    n-butyl acetate 909.4
    n-octanol 226.88
    chloroform 2018.16
    n-propyl acetate 448.17
    acetic acid 416.69
    dichloromethane 1706.91
    cyclohexanone 1075.25
    propylene glycol 131.25
    isopropyl acetate 724.08
    DMAc 375.18
    2-ethoxyethanol 399.07
    isopentanol 473.15
    n-heptane 312.09
    ethyl formate 425.77
    1,2-dichloroethane 1053.1
    n-hexanol 573.51
    2-methoxyethanol 635.02
    isobutyl acetate 356.96
    tetrachloromethane 584.24
    n-pentyl acetate 366.51
    transcutol 1848.69
    n-heptanol 237.66
    ethylbenzene 280.62
    MIBK 576.76
    2-propoxyethanol 831.93
    tert-butanol 435.41
    MTBE 776.98
    2-butoxyethanol 384.0
    propionic acid 381.82
    o-xylene 412.33
    formic acid 129.08
    diethyl ether 1286.02
    m-xylene 575.89
    p-xylene 313.87
    chlorobenzene 767.29
    dimethyl carbonate 333.49
    n-octane 102.19
    formamide 193.06
    cyclopentanone 1091.85
    2-pentanone 754.74
    anisole 485.31
    cyclopentyl methyl ether 1155.71
    gamma-butyrolactone 1026.45
    1-methoxy-2-propanol 582.12
    pyridine 1202.35
    3-pentanone 657.61
    furfural 796.49
    n-dodecane 69.29
    diethylene glycol 506.47
    diisopropyl ether 571.65
    tert-amyl alcohol 297.19
    acetylacetone 845.58
    n-hexadecane 79.29
    acetophenone 330.25
    methyl propionate 661.06
    isopentyl acetate 767.1
    trichloroethylene 1493.03
    n-nonanol 219.34
    cyclohexanol 566.05
    benzyl alcohol 276.36
    2-ethylhexanol 400.32
    isooctanol 208.51
    dipropyl ether 896.63
    1,2-dichlorobenzene 610.55
    ethyl lactate 170.35
    propylene carbonate 618.6
    n-methylformamide 319.0
    2-pentanol 386.76
    n-pentane 339.66
    1-propoxy-2-propanol 664.97
    1-methoxy-2-propyl acetate 789.11
    2-(2-methoxypropoxy) propanol 371.15
    mesitylene 423.18
    ε-caprolactone 864.48
    p-cymene 262.04
    epichlorohydrin 1164.32
    1,1,1-trichloroethane 1123.29
    2-aminoethanol 194.64
    morpholine-4-carbaldehyde 767.21
    sulfolane 714.09
    2,2,4-trimethylpentane 134.77
    2-methyltetrahydrofuran 1343.25
    n-hexyl acetate 464.73
    isooctane 163.47
    2-(2-butoxyethoxy)ethanol 578.48
    sec-butyl acetate 369.07
    tert-butyl acetate 679.85
    decalin 190.64
    glycerin 200.92
    diglyme 1068.79
    acrylic acid 293.55
    isopropyl myristate 246.72
    n-butyric acid 673.32
    acetyl acetate 719.85
    di(2-ethylhexyl) phthalate 166.72
    ethyl propionate 424.26
    nitromethane 651.35
    1,2-diethoxyethane 1049.31
    benzonitrile 468.96
    trioctyl phosphate 131.47
    1-bromopropane 916.71
    gamma-valerolactone 1120.34
    n-decanol 173.04
    triethyl phosphate 236.58
    4-methyl-2-pentanol 309.16
    propionitrile 609.91
    vinylene carbonate 611.74
    1,1,2-trichlorotrifluoroethane 522.23
    DMS 406.38
    cumene 203.23
    2-octanol 156.49
    2-hexanone 418.38
    octyl acetate 257.72
    limonene 403.28
    1,2-dimethoxyethane 767.32
    ethyl orthosilicate 260.55
    tributyl phosphate 174.29
    diacetone alcohol 441.6
    N,N-dimethylaniline 276.57
    acrylonitrile 566.04
    aniline 663.83
    1,3-propanediol 341.9
    bromobenzene 929.76
    dibromomethane 1337.32
    1,1,2,2-tetrachloroethane 1038.05
    2-methyl-cyclohexyl acetate 383.94
    tetrabutyl urea 186.52
    diisobutyl methanol 315.84
    2-phenylethanol 397.08
    styrene 359.88
    dioctyl adipate 265.87
    dimethyl sulfate 299.92
    ethyl butyrate 602.67
    methyl lactate 239.59
    butyl lactate 217.5
    diethyl carbonate 368.37
    propanediol butyl ether 268.71
    triethyl orthoformate 440.41
    p-tert-butyltoluene 265.01
    methyl 4-tert-butylbenzoate 314.55
    morpholine 1361.22
    tert-butylamine 404.59
    n-dodecanol 143.96
    dimethoxymethane 840.44
    ethylene carbonate 595.51
    cyrene 248.32
    2-ethoxyethyl acetate 566.78
    2-ethylhexyl acetate 639.56
    1,2,4-trichlorobenzene 628.95
    4-methylpyridine 951.16
    dibutyl ether 534.12
    2,6-dimethyl-4-heptanol 315.84
    DEF 603.06
    dimethyl isosorbide 634.5
    tetrachloroethylene 839.0
    eugenol 255.39
    triacetin 414.17
    span 80 301.88
    1,4-butanediol 128.72
    1,1-dichloroethane 1084.84
    2-methyl-1-pentanol 277.18
    methyl formate 284.56
    2-methyl-1-butanol 393.57
    n-decane 109.74
    butyronitrile 621.92
    3,7-dimethyl-1-octanol 297.39
    1-chlorooctane 252.0
    1-chlorotetradecane 125.69
    n-nonane 115.54
    undecane 83.7
    tert-butylcyclohexane 164.24
    cyclooctane 297.22
    cyclopentanol 472.45
    tetrahydropyran 1557.87
    tert-amyl methyl ether 496.48
    2,5,8-trioxanonane 680.79
    1-hexene 450.99
    2-isopropoxyethanol 342.39
    2,2,2-trifluoroethanol 182.12
    methyl butyrate 451.25

    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