Octahydro-4,7-methano-1H-indene-5-carbaldehyde

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  • Identifiers

    CAS number
    4791-70-2

    Molecular formula
    C11H16O

    SMILES
    C1CC2C(C1)C3CC2CC3C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 83.62%
    Aldehydic 64.53%
    Floral 59.38%
    Fresh 58.18%
    Fruity 49.81%
    Melon 40.64%
    Ozone 37.44%
    Woody 35.39%
    Muguet 34.82%
    Leafy 31.41%

     

    Flavor
    Bitter 36.36%
    Sweet 27.87%
    Animal 25.47%
    Alkaline 23.35%
    Shrimp 22.82%
    Fruity 21.26%
    Cedarleaf 20.79%
    Terpentine 20.71%
    Cereal 20.61%
    Herbal 20.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.6 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point

    • 84.42 ˚C est.

  • Synonyms

    • Octahydro-4,7-methano-1H-indene-5-carbaldehyde
    • 4791-70-2
    • EINECS 225-340-9
    • SCHEMBL711326
    • SCHEMBL7362277
    • DTXSID00963969
    • GYCQGFPKRVWXQT-UHFFFAOYSA-N
    • NS00046586
    • octahydro-1H-4,7-methanoindene-5-carbaldehyde
    • 4791-70-2

  • Applications

    Octahydro-4,7-methano-1H-indene-5-carbaldehyde (CAS 4791-70-2) is typically used as a fragrance intermediate and odorant in perfumery and cosmetic formulations, contributing to aroma profiles in fragrances. It also serves as a synthetic building block in organic synthesis, enabling the preparation of more complex bicyclic compounds that can be pursued as intermediates for pharmaceutical or agrochemical products. In industrial manufacturing, it may function as a fine-chemical intermediate for specialty chemicals and coating formulations. The aldehyde functionality allows further functionalization, supporting use as a precursor in polymer or plastic chemistries and potentially as a crosslinking or modifying agent in resin systems. Additionally, it may be evaluated for use in cosmetics, household products, and cleaning formulations as a fragrance ingredient or odor-control component, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3077.61
    methanol 3219.33
    isopropanol 3029.47
    water 11.54
    ethyl acetate 6682.16
    n-propanol 2659.56
    acetone 8925.91
    n-butanol 2484.58
    acetonitrile 6588.21
    DMF 4879.44
    toluene 2295.61
    isobutanol 1897.55
    1,4-dioxane 9402.53
    methyl acetate 5192.93
    THF 11023.49
    2-butanone 4686.23
    n-pentanol 674.8
    sec-butanol 1357.54
    n-hexane 78.62
    ethylene glycol 632.84
    NMP 1976.14
    cyclohexane 419.38
    DMSO 4025.75
    n-butyl acetate 2148.14
    n-octanol 277.71
    chloroform 12169.76
    n-propyl acetate 1651.44
    acetic acid 2865.54
    dichloromethane 11793.85
    cyclohexanone 5024.31
    propylene glycol 617.82
    isopropyl acetate 3751.38
    DMAc 1649.55
    2-ethoxyethanol 1576.64
    isopentanol 1999.87
    n-heptane 85.23
    ethyl formate 3522.3
    1,2-dichloroethane 7425.75
    n-hexanol 931.31
    2-methoxyethanol 4501.77
    isobutyl acetate 929.59
    tetrachloromethane 1510.16
    n-pentyl acetate 832.28
    transcutol 6933.8
    n-heptanol 325.57
    ethylbenzene 526.58
    MIBK 2336.68
    2-propoxyethanol 2428.66
    tert-butanol 2666.97
    MTBE 2891.37
    2-butoxyethanol 979.88
    propionic acid 2319.66
    o-xylene 808.62
    formic acid 1112.23
    diethyl ether 4749.9
    m-xylene 1202.0
    p-xylene 675.25
    chlorobenzene 3051.19
    dimethyl carbonate 2008.28
    n-octane 36.16
    formamide 2439.08
    cyclopentanone 7089.09
    2-pentanone 4311.04
    anisole 1616.37
    cyclopentyl methyl ether 3393.36
    gamma-butyrolactone 8063.64
    1-methoxy-2-propanol 3278.56
    pyridine 5261.98
    3-pentanone 2700.4
    furfural 4646.31
    n-dodecane 30.31
    diethylene glycol 1959.32
    diisopropyl ether 1157.78
    tert-amyl alcohol 1032.48
    acetylacetone 5200.81
    n-hexadecane 37.22
    acetophenone 1099.85
    methyl propionate 3713.36
    isopentyl acetate 1646.2
    trichloroethylene 11948.9
    n-nonanol 251.45
    cyclohexanol 1722.15
    benzyl alcohol 965.58
    2-ethylhexanol 425.21
    isooctanol 275.73
    dipropyl ether 1033.06
    1,2-dichlorobenzene 2098.82
    ethyl lactate 544.23
    propylene carbonate 3620.64
    n-methylformamide 4417.94
    2-pentanol 1347.1
    n-pentane 169.89
    1-propoxy-2-propanol 1420.2
    1-methoxy-2-propyl acetate 2387.23
    2-(2-methoxypropoxy) propanol 725.86
    mesitylene 684.33
    ε-caprolactone 3641.96
    p-cymene 291.06
    epichlorohydrin 10227.34
    1,1,1-trichloroethane 6149.37
    2-aminoethanol 1081.0
    morpholine-4-carbaldehyde 3221.9
    sulfolane 3996.59
    2,2,4-trimethylpentane 72.1
    2-methyltetrahydrofuran 5510.21
    n-hexyl acetate 1101.28
    isooctane 100.15
    2-(2-butoxyethoxy)ethanol 1366.09
    sec-butyl acetate 1141.45
    tert-butyl acetate 2806.63
    decalin 106.07
    glycerin 892.95
    diglyme 3172.35
    acrylic acid 1890.11
    isopropyl myristate 353.65
    n-butyric acid 3998.91
    acetyl acetate 3358.56
    di(2-ethylhexyl) phthalate 282.94
    ethyl propionate 1567.71
    nitromethane 7931.3
    1,2-diethoxyethane 2743.49
    benzonitrile 2058.34
    trioctyl phosphate 198.43
    1-bromopropane 3002.3
    gamma-valerolactone 7196.82
    n-decanol 184.99
    triethyl phosphate 357.84
    4-methyl-2-pentanol 775.7
    propionitrile 4135.24
    vinylene carbonate 3503.81
    1,1,2-trichlorotrifluoroethane 2826.88
    DMS 1305.93
    cumene 313.69
    2-octanol 205.44
    2-hexanone 1193.57
    octyl acetate 408.66
    limonene 395.95
    1,2-dimethoxyethane 3102.56
    ethyl orthosilicate 358.5
    tributyl phosphate 304.1
    diacetone alcohol 2030.3
    N,N-dimethylaniline 578.68
    acrylonitrile 4804.25
    aniline 2342.81
    1,3-propanediol 2457.44
    bromobenzene 3196.52
    dibromomethane 6371.83
    1,1,2,2-tetrachloroethane 6825.26
    2-methyl-cyclohexyl acetate 594.29
    tetrabutyl urea 304.05
    diisobutyl methanol 368.08
    2-phenylethanol 987.92
    styrene 794.67
    dioctyl adipate 447.45
    dimethyl sulfate 1615.37
    ethyl butyrate 1307.28
    methyl lactate 1181.32
    butyl lactate 548.09
    diethyl carbonate 833.64
    propanediol butyl ether 689.32
    triethyl orthoformate 702.75
    p-tert-butyltoluene 288.96
    methyl 4-tert-butylbenzoate 683.12
    morpholine 7525.22
    tert-butylamine 1447.07
    n-dodecanol 142.79
    dimethoxymethane 5334.32
    ethylene carbonate 3366.0
    cyrene 576.62
    2-ethoxyethyl acetate 1708.86
    2-ethylhexyl acetate 1045.69
    1,2,4-trichlorobenzene 2097.34
    4-methylpyridine 4345.63
    dibutyl ether 684.42
    2,6-dimethyl-4-heptanol 368.08
    DEF 2629.85
    dimethyl isosorbide 1387.52
    tetrachloroethylene 4395.1
    eugenol 612.58
    triacetin 958.06
    span 80 552.12
    1,4-butanediol 483.72
    1,1-dichloroethane 7768.91
    2-methyl-1-pentanol 559.12
    methyl formate 4042.32
    2-methyl-1-butanol 1287.23
    n-decane 52.57
    butyronitrile 3734.91
    3,7-dimethyl-1-octanol 365.44
    1-chlorooctane 264.53
    1-chlorotetradecane 102.52
    n-nonane 50.41
    undecane 38.89
    tert-butylcyclohexane 86.73
    cyclooctane 130.67
    cyclopentanol 2118.28
    tetrahydropyran 6995.45
    tert-amyl methyl ether 1076.2
    2,5,8-trioxanonane 1521.14
    1-hexene 364.32
    2-isopropoxyethanol 1021.02
    2,2,2-trifluoroethanol 1463.77
    methyl butyrate 1896.37

    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