4,7-Methano-5H-inden-5-one, octahydro-

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  • Identifiers

    CAS number
    13380-94-4

    Molecular formula
    C10H14O

    SMILES
    C1CC2C(C1)C3CC2CC3=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 77.5%
    Fruity 70.1%
    Green 64.19%
    Fresh 52.62%
    Herbal 51.51%
    Floral 41.76%
    Jasmin 33.43%
    Spicy 32.88%
    Mint 32.61%
    Cedar 32.54%

     

    Flavor
    Bitter 54.72%
    Animal 25.5%
    Alkaline 22.31%
    Cedarleaf 21.67%
    Shrimp 21.5%
    Cereal 20.58%
    Beet 20.24%
    Soil 20.11%
    Lovage 19.67%
    Patchouli 19.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.2 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    251°C

    Flash point

    • 79.38 ˚C est.

  • Synonyms

    • 13380-94-4
    • Corodane
    • Tricyclo[5.2.1.02,6]decan-8-one
    • Tricyclo[5.2.1.0(2,6)]decan-8-one
    • 4,7-Methano-5H-inden-5-one, octahydro-
    • Hexahydro-1H-4,7-methanoinden-5(6H)-one
    • EINECS 236-458-5
    • 4,7-Methanoindan-5(4H)-one, tetrahydro-
    • NSC 77098
    • Tricyclo(5.2.1.02,6)decane-8-one
    • 8-Ketotricyclo(5.2.1.0(sup2,6))decane
    • Tricyclo(5.2.1.02,6)decan-8-one
    • BRN 1907967
    • Octahydro-4,7-methano-5H-inden-5-one
    • DTXSID9047463
    • 8-Oxotricyclo(5.2.1.0(sup2,6))decane
    • AI3-12157
    • 8-Oxotricyclo(5.2.1.0(sup 2,6))decane
    • 8-Ketotricyclo(5.2.1.0(sup 2,6))decane
    • Tricyclo(5.2.1.0(sup 2,6))decan-8-one
    • TRICYCLODECANE-8-ONE
    • DTXCID7027463
    • 2-07-00-00133 (Beilstein Handbook Reference)
    • Tricyclo[5.2.1.02,6]decane-8-one
    • TRICYCLO[5.2.1.0(2),?]DECAN-8-ONE
    • MFCD00168034
    • octahydro-5H-4,7-methanoinden-5-one
    • 8-Oxotricyclo(5.2.1.0(2,6))decane
    • 8-Oxotricyclo[5.2.1.0(2,6)]decane
    • 8-Ketotricyclo[5.2.1.0(sup2,6)]decane
    • 8-Oxotricyclo[5.2.1.0(sup2,6)]decane
    • 4, tetrahydro-
    • NSC77098
    • SCHEMBL2385718
    • CHEMBL3188674
    • WLN: L C555 A IVTJ
    • tricyclo[5.2.1.0,decan-8-one
    • Tricyclo(5,1,02,6)decanone-8
    • Octahydro-4,7-methano-inden-5-one
    • Tox21_302627
    • BBL033471
    • NSC-77098
    • STK802049
    • 8-Oxotricyclo[5.2.1.02,6]decane
    • AKOS000121387
    • AKOS022180786
    • tricyclo[5,2,1,02,6]decan-8-one
    • 8-ketotricyclo[5.2.1.02,6 ]decane
    • 8-ketotricyclo[5.2.1.02.6 ]decane
    • NCGC00256747-01
    • Tricyclo(5,2,1,0(2,6))decanone-8
    • tricyclo[5.2.1.0(2),]decan-8-one
    • Tricyclo[5.2.1.0(2,6)]decanone-8
    • tricyclo[5.2.1.0,2,6]decan-8-one
    • Tricyclo[5.2.1.02, 6]decan-8-one
    • tricyclo[5.2.1.02,6 ]decane-8-one
    • SY054296
    • VS-12093
    • Tricyclo [5.2.1.02,6] decan-8-one
    • CAS-13380-94-4
    • DB-244702
    • tricyclo [5,2,1,02,6 ] decan-8-one
    • tricyclo[5.2.1.0 (2,6)]decan-8-one
    • 8-ketotricyclo-[5. 2.1.02.6 ] decane
    • CS-0198914
    • NS00013246
    • T1321
    • EN300-21135
    • E78244
    • 236-458-5

  • Applications

    4,7-Methano-5H-inden-5-one, octahydro- (CAS 13380-94-4) is a bicyclic ketone that is fully hydrogenated and typically acts as a synthetic intermediate in various chemical syntheses. Its potential applications include: serving as a fragrance intermediate or fixative in the perfumery and cosmetics sectors; acting as a precursor or intermediate for pharmaceutical synthesis and related specialty chemicals; serving as a building block for polymeric materials and specialty plastics; functioning as an intermediate for coatings and inks; and may be considered for consumer fragrance-based applications in personal care and household products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 723.0
    methanol 1043.97
    isopropanol 607.33
    water 15.69
    ethyl acetate 1286.95
    n-propanol 602.87
    acetone 1273.84
    n-butanol 467.95
    acetonitrile 1435.42
    DMF 982.25
    toluene 684.69
    isobutanol 393.25
    1,4-dioxane 2625.48
    methyl acetate 1093.58
    THF 1511.87
    2-butanone 800.55
    n-pentanol 229.42
    sec-butanol 290.51
    n-hexane 22.89
    ethylene glycol 310.64
    NMP 480.98
    cyclohexane 79.23
    DMSO 767.56
    n-butyl acetate 520.94
    n-octanol 151.95
    chloroform 3679.79
    n-propyl acetate 398.16
    acetic acid 995.45
    dichloromethane 2474.95
    cyclohexanone 924.65
    propylene glycol 264.1
    isopropyl acetate 703.4
    DMAc 506.79
    2-ethoxyethanol 575.58
    isopentanol 424.2
    n-heptane 25.78
    ethyl formate 718.6
    1,2-dichloroethane 1357.74
    n-hexanol 340.73
    2-methoxyethanol 1169.55
    isobutyl acetate 265.05
    tetrachloromethane 462.01
    n-pentyl acetate 279.25
    transcutol 3142.9
    n-heptanol 160.23
    ethylbenzene 217.44
    MIBK 444.85
    2-propoxyethanol 861.51
    tert-butanol 511.01
    MTBE 469.17
    2-butoxyethanol 448.33
    propionic acid 663.23
    o-xylene 284.34
    formic acid 525.27
    diethyl ether 708.36
    m-xylene 389.24
    p-xylene 283.08
    chlorobenzene 945.74
    dimethyl carbonate 444.54
    n-octane 12.93
    formamide 738.97
    cyclopentanone 1044.2
    2-pentanone 655.52
    anisole 588.45
    cyclopentyl methyl ether 574.7
    gamma-butyrolactone 1325.75
    1-methoxy-2-propanol 792.97
    pyridine 1744.04
    3-pentanone 487.88
    furfural 1382.06
    n-dodecane 13.46
    diethylene glycol 845.38
    diisopropyl ether 212.3
    tert-amyl alcohol 226.88
    acetylacetone 1010.2
    n-hexadecane 15.75
    acetophenone 423.95
    methyl propionate 747.98
    isopentyl acetate 432.56
    trichloroethylene 2695.68
    n-nonanol 136.46
    cyclohexanol 362.4
    benzyl alcohol 413.67
    2-ethylhexanol 163.25
    isooctanol 133.63
    dipropyl ether 231.87
    1,2-dichlorobenzene 713.1
    ethyl lactate 197.69
    propylene carbonate 733.49
    n-methylformamide 904.16
    2-pentanol 263.29
    n-pentane 35.26
    1-propoxy-2-propanol 474.15
    1-methoxy-2-propyl acetate 663.94
    2-(2-methoxypropoxy) propanol 391.51
    mesitylene 239.76
    ε-caprolactone 845.96
    p-cymene 124.0
    epichlorohydrin 1668.82
    1,1,1-trichloroethane 1315.71
    2-aminoethanol 465.24
    morpholine-4-carbaldehyde 1177.25
    sulfolane 742.31
    2,2,4-trimethylpentane 20.36
    2-methyltetrahydrofuran 857.11
    n-hexyl acetate 391.15
    isooctane 26.13
    2-(2-butoxyethoxy)ethanol 621.53
    sec-butyl acetate 292.56
    tert-butyl acetate 523.24
    decalin 34.89
    glycerin 434.35
    diglyme 1361.1
    acrylic acid 649.64
    isopropyl myristate 138.15
    n-butyric acid 917.56
    acetyl acetate 837.27
    di(2-ethylhexyl) phthalate 141.49
    ethyl propionate 382.63
    nitromethane 1934.93
    1,2-diethoxyethane 808.34
    benzonitrile 825.95
    trioctyl phosphate 89.53
    1-bromopropane 561.4
    gamma-valerolactone 1682.71
    n-decanol 99.67
    triethyl phosphate 129.95
    4-methyl-2-pentanol 207.86
    propionitrile 860.65
    vinylene carbonate 907.78
    1,1,2-trichlorotrifluoroethane 919.86
    DMS 451.26
    cumene 144.39
    2-octanol 99.61
    2-hexanone 318.95
    octyl acetate 163.27
    limonene 136.28
    1,2-dimethoxyethane 935.97
    ethyl orthosilicate 130.74
    tributyl phosphate 120.81
    diacetone alcohol 470.81
    N,N-dimethylaniline 259.96
    acrylonitrile 1241.22
    aniline 777.0
    1,3-propanediol 669.45
    bromobenzene 958.49
    dibromomethane 1398.52
    1,1,2,2-tetrachloroethane 1801.92
    2-methyl-cyclohexyl acetate 207.91
    tetrabutyl urea 127.05
    diisobutyl methanol 125.27
    2-phenylethanol 454.31
    styrene 301.68
    dioctyl adipate 181.13
    dimethyl sulfate 394.75
    ethyl butyrate 328.35
    methyl lactate 350.6
    butyl lactate 229.98
    diethyl carbonate 237.03
    propanediol butyl ether 354.16
    triethyl orthoformate 222.5
    p-tert-butyltoluene 117.52
    methyl 4-tert-butylbenzoate 305.86
    morpholine 1854.25
    tert-butylamine 304.77
    n-dodecanol 76.95
    dimethoxymethane 960.96
    ethylene carbonate 785.87
    cyrene 255.31
    2-ethoxyethyl acetate 621.31
    2-ethylhexyl acetate 293.54
    1,2,4-trichlorobenzene 762.82
    4-methylpyridine 1322.13
    dibutyl ether 204.33
    2,6-dimethyl-4-heptanol 125.27
    DEF 529.57
    dimethyl isosorbide 538.52
    tetrachloroethylene 1255.8
    eugenol 328.31
    triacetin 400.26
    span 80 281.7
    1,4-butanediol 212.6
    1,1-dichloroethane 1489.25
    2-methyl-1-pentanol 188.86
    methyl formate 769.41
    2-methyl-1-butanol 282.21
    n-decane 21.82
    butyronitrile 706.36
    3,7-dimethyl-1-octanol 172.6
    1-chlorooctane 101.54
    1-chlorotetradecane 44.14
    n-nonane 19.2
    undecane 16.41
    tert-butylcyclohexane 31.32
    cyclooctane 29.25
    cyclopentanol 386.33
    tetrahydropyran 1287.79
    tert-amyl methyl ether 219.25
    2,5,8-trioxanonane 762.01
    1-hexene 102.45
    2-isopropoxyethanol 387.27
    2,2,2-trifluoroethanol 493.17
    methyl butyrate 423.05

    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