4,7-Methano-1H-indene, octahydro-

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  • Identifiers

    CAS number
    6004-38-2

    Molecular formula
    C10H16

    SMILES
    C1CC2C3CCC(C3)C2C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 37.44%
    Fresh 31.01%
    Woody 30.2%
    Waxy 30.18%
    Dry 29.65%
    Citrus 25.91%
    Musk 25.77%
    Animal 25.11%
    Amber 24.31%
    Green 23.05%

     

    Flavor
    Animal 25.85%
    Sweet 22.64%
    Alkaline 21.0%
    Shrimp 19.15%
    Fir needle 18.01%
    Beet 17.87%
    Cereal 17.85%
    Rotten 17.68%
    Patchouli 17.64%
    Soil 17.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.63 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point

    • 38.41 ˚C est.

  • Synonyms

    • 6004-38-2
    • Tricyclo[5.2.1.02,6]decane
    • Trimethylenenorbornane
    • 4,7-Methano-1H-indene, octahydro-
    • Octahydro-4,7-methano-1H-indene
    • Tetrahydrocyclopentadiene dimer
    • HEXAHYDRO-4,7-METHANOINDAN
    • 4,7-Methanoindan, hexahydro-
    • Norbornane, 2,3-trimethylene-
    • Tricyclo(5.2.1.02,6)decane
    • EINECS 227-851-2
    • NSC 22464
    • AI3-51352
    • Bicyclo(2.2.1)heptane, 2,3-(1,3-propanediyl)-
    • DTXSID60859773
    • Bicyclo[2.2.1]heptane, 2,3-(1,3-propanediyl)-
    • RefChem:508312
    • DTXCID70209462
    • 227-851-2
    • Tetrahydrodicyclopentadiene
    • Octahydro-1H-4,7-methanoindene
    • endo-Tetrahydrodicyclopentadiene
    • 2,3-Trimethylenenorbornane
    • Norbornane,3-trimethylene-
    • tricyclo[5.2.1.0,decane
    • SCHEMBL173214
    • SCHEMBL176627
    • SCHEMBL194359
    • SCHEMBL846620
    • SCHEMBL2638813
    • SCHEMBL2884651
    • SCHEMBL2990793
    • SCHEMBL3005307
    • SCHEMBL4260885
    • SCHEMBL7748939
    • SCHEMBL7991277
    • SCHEMBL8304226
    • SCHEMBL12803779
    • tricyclo[5.2.1.0(2),]decane
    • tricyclo[5.2.1.0,2,6]decane
    • (3aalpha,4alpha,7alpha,7aalpha)-Octahydro-4,7-methano-1H-indene
    • NSC22464
    • tricyclo[5.2.1.02,6 ] decane
    • MFCD00074748
    • NSC-22464
    • tricyclo [5.2.1.02,6 ] decane
    • 4,7-Methano-1H-indene, octahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
    • AKOS015918132
    • Tricyclo[5.2.1.0(sup2,6)]decane
    • 4,7-Methano-1H-indene, octahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
    • exo-Tricyclo[5.2.1.0(2,6)]decane
    • endo-Tricyclo[5.2.1.0(2,6)]decane
    • Endo-tricyclo[5.2.1.0(2.6)]decane
    • FT182783
    • CS-0271508
    • NS00020504
    • NS00082768
    • T0409
    • T1994
    • G68205
    • Bicyclo[2.2.1]heptane,3-(1,3-propanediyl)-
    • EN300-7539455
    • A869062
    • F680542
    • (1R,2R,6S,7S)-tricyclo[5.2.1.0(2),]decane
    • 6004-38-2

  • Applications

    4,7-Methano-1H-indene, octahydro- (CAS 6004-38-2) is primarily used as a chemical building block in organic synthesis, providing a rigid aliphatic framework for the preparation of cyclic hydrocarbon intermediates and related polymer- or rubber-forming materials. In perfumery and cosmetics, it can be evaluated as a fragrance ingredient or odorant and may function as a fixative in certain formulations. In coatings and inks, it can serve as a non-polar solvent or processing aid. In polymer and plastics chemistry, it may act as a building block for cycloalkane-based polymers or as an intermediate in resin formulations. In cleaning formulations and other industrial products, it may be used as a non-polar solvent component. Actual use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 723.65
    methanol 713.57
    isopropanol 585.72
    water 1.46
    ethyl acetate 1705.48
    n-propanol 723.74
    acetone 1369.43
    n-butanol 811.29
    acetonitrile 1090.0
    DMF 728.99
    toluene 1444.64
    isobutanol 555.69
    1,4-dioxane 2523.61
    methyl acetate 1138.87
    THF 3619.95
    2-butanone 1098.16
    n-pentanol 412.0
    sec-butanol 497.46
    n-hexane 504.2
    ethylene glycol 132.64
    NMP 849.09
    cyclohexane 1177.59
    DMSO 679.71
    n-butyl acetate 1874.22
    n-octanol 364.09
    chloroform 3545.35
    n-propyl acetate 769.21
    acetic acid 707.27
    dichloromethane 2927.04
    cyclohexanone 1892.08
    propylene glycol 175.36
    isopropyl acetate 1307.33
    DMAc 570.2
    2-ethoxyethanol 530.5
    isopentanol 761.43
    n-heptane 686.53
    ethyl formate 727.21
    1,2-dichloroethane 1760.31
    n-hexanol 949.52
    2-methoxyethanol 912.41
    isobutyl acetate 623.34
    tetrachloromethane 1071.66
    n-pentyl acetate 705.42
    transcutol 2241.25
    n-heptanol 396.24
    ethylbenzene 439.88
    MIBK 913.0
    2-propoxyethanol 1316.51
    tert-butanol 692.07
    MTBE 1228.39
    2-butoxyethanol 590.27
    propionic acid 637.54
    o-xylene 662.03
    formic acid 186.21
    diethyl ether 2047.88
    m-xylene 885.87
    p-xylene 522.26
    chlorobenzene 1320.4
    dimethyl carbonate 489.71
    n-octane 207.2
    formamide 270.99
    cyclopentanone 1878.05
    2-pentanone 1197.14
    anisole 742.46
    cyclopentyl methyl ether 1940.15
    gamma-butyrolactone 1893.55
    1-methoxy-2-propanol 821.2
    pyridine 1953.22
    3-pentanone 1029.32
    furfural 1357.77
    n-dodecane 124.54
    diethylene glycol 677.72
    diisopropyl ether 956.16
    tert-amyl alcohol 468.05
    acetylacetone 1336.15
    n-hexadecane 145.0
    acetophenone 509.32
    methyl propionate 1007.49
    isopentyl acetate 1520.43
    trichloroethylene 2541.82
    n-nonanol 355.34
    cyclohexanol 970.57
    benzyl alcohol 418.6
    2-ethylhexanol 724.63
    isooctanol 349.36
    dipropyl ether 1840.46
    1,2-dichlorobenzene 1081.69
    ethyl lactate 261.72
    propylene carbonate 1162.75
    n-methylformamide 515.48
    2-pentanol 634.75
    n-pentane 581.89
    1-propoxy-2-propanol 1114.59
    1-methoxy-2-propyl acetate 1375.59
    2-(2-methoxypropoxy) propanol 507.41
    mesitylene 676.06
    ε-caprolactone 1497.28
    p-cymene 484.35
    epichlorohydrin 1943.96
    1,1,1-trichloroethane 2141.72
    2-aminoethanol 265.48
    morpholine-4-carbaldehyde 1136.12
    sulfolane 1224.19
    2,2,4-trimethylpentane 224.63
    2-methyltetrahydrofuran 2351.14
    n-hexyl acetate 812.52
    isooctane 272.08
    2-(2-butoxyethoxy)ethanol 759.31
    sec-butyl acetate 651.95
    tert-butyl acetate 1281.15
    decalin 333.47
    glycerin 256.38
    diglyme 1594.88
    acrylic acid 501.16
    isopropyl myristate 437.71
    n-butyric acid 1199.95
    acetyl acetate 1291.06
    di(2-ethylhexyl) phthalate 260.84
    ethyl propionate 735.4
    nitromethane 1080.73
    1,2-diethoxyethane 1656.48
    benzonitrile 785.66
    trioctyl phosphate 216.12
    1-bromopropane 1518.79
    gamma-valerolactone 1900.45
    n-decanol 274.4
    triethyl phosphate 437.58
    4-methyl-2-pentanol 470.38
    propionitrile 1110.34
    vinylene carbonate 1062.64
    1,1,2-trichlorotrifluoroethane 896.66
    DMS 644.02
    cumene 328.19
    2-octanol 267.97
    2-hexanone 675.52
    octyl acetate 449.85
    limonene 803.9
    1,2-dimethoxyethane 1231.25
    ethyl orthosilicate 470.85
    tributyl phosphate 305.06
    diacetone alcohol 700.34
    N,N-dimethylaniline 419.82
    acrylonitrile 1058.53
    aniline 1063.82
    1,3-propanediol 500.26
    bromobenzene 1608.58
    dibromomethane 2251.43
    1,1,2,2-tetrachloroethane 1836.13
    2-methyl-cyclohexyl acetate 693.96
    tetrabutyl urea 311.65
    diisobutyl methanol 587.11
    2-phenylethanol 624.52
    styrene 571.35
    dioctyl adipate 437.59
    dimethyl sulfate 459.07
    ethyl butyrate 1226.62
    methyl lactate 351.67
    butyl lactate 370.81
    diethyl carbonate 721.59
    propanediol butyl ether 360.79
    triethyl orthoformate 861.79
    p-tert-butyltoluene 506.27
    methyl 4-tert-butylbenzoate 517.2
    morpholine 2103.48
    tert-butylamine 671.95
    n-dodecanol 228.58
    dimethoxymethane 1176.32
    ethylene carbonate 1071.53
    cyrene 337.12
    2-ethoxyethyl acetate 898.62
    2-ethylhexyl acetate 1249.33
    1,2,4-trichlorobenzene 1064.9
    4-methylpyridine 1543.28
    dibutyl ether 1017.82
    2,6-dimethyl-4-heptanol 587.11
    DEF 1012.27
    dimethyl isosorbide 969.21
    tetrachloroethylene 1471.26
    eugenol 383.46
    triacetin 630.42
    span 80 447.84
    1,4-butanediol 166.64
    1,1-dichloroethane 1849.41
    2-methyl-1-pentanol 378.44
    methyl formate 465.5
    2-methyl-1-butanol 612.36
    n-decane 214.63
    butyronitrile 1136.67
    3,7-dimethyl-1-octanol 493.92
    1-chlorooctane 470.23
    1-chlorotetradecane 216.24
    n-nonane 230.49
    undecane 156.45
    tert-butylcyclohexane 286.23
    cyclooctane 564.6
    cyclopentanol 868.52
    tetrahydropyran 2714.79
    tert-amyl methyl ether 793.27
    2,5,8-trioxanonane 943.49
    1-hexene 742.6
    2-isopropoxyethanol 457.12
    2,2,2-trifluoroethanol 299.61
    methyl butyrate 797.51

    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