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

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  • Identifiers

    CAS number
    2500-83-6

    Molecular formula
    C12H16O2

    SMILES
    CC(=O)OC1CC2CC1C3C2CC=C3

  • Odor profile

    Fragrance
    Green 87.23%
    Woody 80.44%
    Floral 72.6%
    Herbal 71.71%
    Fruity 55.02%
    Sweet 46.92%
    Fresh 44.77%
    Balsamic 42.15%
    Oily 39.61%
    Jasmin 33.83%

     

    Flavor
    Bitter 48.55%
    Fruity 38.71%
    Sweet 28.91%
    Fruit 26.15%
    Herbal 24.39%
    Floral 21.29%
    Alkaline 20.63%
    Plant 20.5%
    Cedarleaf 20.5%
    Orange blossom 20.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.25 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point

    • 106.51 ˚C est.

  • Synonyms

    • 2500-83-6
    • 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
    • Tricyclo(5.2.1.02,6)dec-3-en-9-yl acetate
    • EINECS 219-700-4
    • 4,7-Methanoinden-5-ol, 3a,4,5,6,7,7a-hexahydro-, acetate
    • NSC 142428
    • TRICYCLODECENYLACETATE
    • tricyclo[5.2.1.0^{2,6}]dec-4-en-8-yl acetate
    • 8-tricyclo[5.2.1.02,6]dec-4-enyl acetate
    • tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate
    • 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl acetate
    • 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, 5-acetate
    • Tricyclo(5.2.1.02,6)dec-4-en-8-yl acetate
    • 3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-yl acetate
    • tricyclo[5.2.1.0~2,6~]dec-4-en-8-yl acetate
    • MFCD00169839
    • NCIOpen2_001430
    • SCHEMBL112485
    • DTXSID3051917
    • NSC94573
    • NSC-94573
    • NSC142428
    • AKOS015994099
    • MS-0719
    • NSC-142428
    • NS00013329
    • tricyclo[5.2.1.0?,?]dec-4-en-8-yl acetate
    • TRICYCLO[5.2.1.0(2),?]DEC-4-EN-8-YL ACETATE
    • 3a,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl acetate
    • 219-700-4

  • Applications

    CAS 2500-83-6, 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-, 5-acetate is used primarily as a fragrance ingredient and fragrance intermediate, contributing woody and herbaceous notes in perfumery and cosmetics. It may be evaluated as a flavor/aroma component in limited applications. It also serves as a building block for specialty aroma compounds and other organic intermediates for pharmaceutical or agrochemical synthesis. In industrial contexts it can be used as a component in coatings and inks formulations to achieve a defined odor profile. In household products it can be used as a fragrance additive. It may also be considered as an intermediate for polymers or materials to access bicyclic aroma compounds, subject to regulatory compliance and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 678.79
    methanol 1042.12
    isopropanol 631.78
    water 10.14
    ethyl acetate 681.67
    n-propanol 634.99
    acetone 896.07
    n-butanol 521.34
    acetonitrile 734.79
    DMF 942.61
    toluene 577.27
    isobutanol 466.61
    1,4-dioxane 1599.19
    methyl acetate 628.79
    THF 1401.68
    2-butanone 652.22
    n-pentanol 287.69
    sec-butanol 400.24
    n-hexane 28.35
    ethylene glycol 311.07
    NMP 528.38
    cyclohexane 80.89
    DMSO 917.09
    n-butyl acetate 277.65
    n-octanol 123.17
    chloroform 2565.05
    n-propyl acetate 267.05
    acetic acid 637.29
    dichloromethane 1692.63
    cyclohexanone 679.45
    propylene glycol 333.22
    isopropyl acetate 456.55
    DMAc 617.37
    2-ethoxyethanol 543.6
    isopentanol 512.03
    n-heptane 14.73
    ethyl formate 394.46
    1,2-dichloroethane 941.17
    n-hexanol 287.44
    2-methoxyethanol 1013.96
    isobutyl acetate 212.03
    tetrachloromethane 277.17
    n-pentyl acetate 163.94
    transcutol 1916.58
    n-heptanol 124.94
    ethylbenzene 180.51
    MIBK 385.79
    2-propoxyethanol 629.95
    tert-butanol 597.32
    MTBE 551.59
    2-butoxyethanol 311.34
    propionic acid 483.35
    o-xylene 248.96
    formic acid 405.14
    diethyl ether 621.48
    m-xylene 344.72
    p-xylene 234.62
    chlorobenzene 612.11
    dimethyl carbonate 328.89
    n-octane 8.17
    formamide 520.59
    cyclopentanone 763.15
    2-pentanone 544.13
    anisole 438.67
    cyclopentyl methyl ether 560.46
    gamma-butyrolactone 842.21
    1-methoxy-2-propanol 743.46
    pyridine 1026.61
    3-pentanone 404.24
    furfural 808.08
    n-dodecane 9.66
    diethylene glycol 684.24
    diisopropyl ether 180.1
    tert-amyl alcohol 357.81
    acetylacetone 642.84
    n-hexadecane 11.32
    acetophenone 309.01
    methyl propionate 487.99
    isopentyl acetate 278.05
    trichloroethylene 1725.26
    n-nonanol 110.5
    cyclohexanol 416.87
    benzyl alcohol 328.35
    2-ethylhexanol 133.22
    isooctanol 107.2
    dipropyl ether 144.41
    1,2-dichlorobenzene 472.58
    ethyl lactate 170.54
    propylene carbonate 511.93
    n-methylformamide 640.63
    2-pentanol 307.19
    n-pentane 38.65
    1-propoxy-2-propanol 345.38
    1-methoxy-2-propyl acetate 401.83
    2-(2-methoxypropoxy) propanol 309.46
    mesitylene 197.99
    ε-caprolactone 558.99
    p-cymene 84.15
    epichlorohydrin 1147.5
    1,1,1-trichloroethane 891.76
    2-aminoethanol 462.99
    morpholine-4-carbaldehyde 782.8
    sulfolane 638.04
    2,2,4-trimethylpentane 28.09
    2-methyltetrahydrofuran 833.97
    n-hexyl acetate 250.1
    isooctane 28.72
    2-(2-butoxyethoxy)ethanol 472.08
    sec-butyl acetate 228.23
    tert-butyl acetate 386.97
    decalin 39.04
    glycerin 483.88
    diglyme 826.01
    acrylic acid 472.55
    isopropyl myristate 92.29
    n-butyric acid 569.87
    acetyl acetate 458.24
    di(2-ethylhexyl) phthalate 114.07
    ethyl propionate 244.0
    nitromethane 1002.77
    1,2-diethoxyethane 433.18
    benzonitrile 460.84
    trioctyl phosphate 72.3
    1-bromopropane 520.1
    gamma-valerolactone 981.23
    n-decanol 80.94
    triethyl phosphate 103.36
    4-methyl-2-pentanol 229.46
    propionitrile 523.15
    vinylene carbonate 546.86
    1,1,2-trichlorotrifluoroethane 743.36
    DMS 286.08
    cumene 122.17
    2-octanol 80.2
    2-hexanone 270.79
    octyl acetate 111.04
    limonene 100.63
    1,2-dimethoxyethane 768.56
    ethyl orthosilicate 104.08
    tributyl phosphate 92.86
    diacetone alcohol 417.7
    N,N-dimethylaniline 228.78
    acrylonitrile 678.13
    aniline 638.95
    1,3-propanediol 573.93
    bromobenzene 645.22
    dibromomethane 1068.52
    1,1,2,2-tetrachloroethane 1373.69
    2-methyl-cyclohexyl acetate 154.14
    tetrabutyl urea 106.24
    diisobutyl methanol 97.31
    2-phenylethanol 296.91
    styrene 245.92
    dioctyl adipate 126.62
    dimethyl sulfate 385.7
    ethyl butyrate 180.47
    methyl lactate 298.7
    butyl lactate 164.4
    diethyl carbonate 143.47
    propanediol butyl ether 319.12
    triethyl orthoformate 144.85
    p-tert-butyltoluene 85.21
    methyl 4-tert-butylbenzoate 225.52
    morpholine 1409.07
    tert-butylamine 359.76
    n-dodecanol 62.16
    dimethoxymethane 778.24
    ethylene carbonate 473.69
    cyrene 250.42
    2-ethoxyethyl acetate 325.61
    2-ethylhexyl acetate 201.85
    1,2,4-trichlorobenzene 556.59
    4-methylpyridine 870.16
    dibutyl ether 131.63
    2,6-dimethyl-4-heptanol 97.31
    DEF 404.28
    dimethyl isosorbide 408.75
    tetrachloroethylene 879.29
    eugenol 241.48
    triacetin 287.47
    span 80 224.3
    1,4-butanediol 224.7
    1,1-dichloroethane 1124.75
    2-methyl-1-pentanol 270.61
    methyl formate 487.54
    2-methyl-1-butanol 383.88
    n-decane 14.27
    butyronitrile 486.76
    3,7-dimethyl-1-octanol 143.73
    1-chlorooctane 74.52
    1-chlorotetradecane 34.34
    n-nonane 12.44
    undecane 11.37
    tert-butylcyclohexane 35.32
    cyclooctane 26.94
    cyclopentanol 433.73
    tetrahydropyran 1107.93
    tert-amyl methyl ether 283.04
    2,5,8-trioxanonane 519.62
    1-hexene 118.94
    2-isopropoxyethanol 366.17
    2,2,2-trifluoroethanol 361.57
    methyl butyrate 293.01

    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