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

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  • Identifiers

    CAS number
    30772-79-3

    Molecular formula
    C11H16O

    SMILES
    C1CC2CC1C3C2C(CC3)C=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 83.23%
    Aldehydic 64.36%
    Floral 59.38%
    Fresh 58.86%
    Fruity 49.28%
    Melon 40.25%
    Ozone 37.77%
    Woody 35.22%
    Muguet 35.12%
    Leafy 31.38%

     

    Flavor
    Bitter 35.38%
    Sweet 28.08%
    Animal 25.94%
    Alkaline 23.46%
    Shrimp 22.97%
    Fruity 21.15%
    Cedarleaf 20.68%
    Terpentine 20.67%
    Cereal 20.64%
    Beet 20.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.69 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    248°C

    Flash point

    • 86.66 ˚C est.

  • Synonyms

    • 30772-79-3
    • Octahydro-4,7-methano-1H-indenecarbaldehyde
    • tricyclo[5.2.1.02,6]decane-3-carbaldehyde
    • EINECS 250-333-2
    • 4,7-Methano-1H-indenecarboxaldehyde, octahydro-
    • Octahydro-4,7-methano-1H-indene-carboxaldehyde
    • 91967-77-0
    • SCHEMBL229901
    • USPJNXWHVJTDJW-UHFFFAOYSA-N
    • DTXSID201332216
    • NS00012810

  • Applications

    4,7-Methano-1H-indenecarboxaldehyde, octahydro- (CAS 30772-79-3) is typically considered a fragrance-related intermediate and odorant precursor. In perfumery and cosmetics, it may be used as an aroma component or as a building block for more complex scent molecules, subject to regulatory and formulation limits. It can also serve as a specialty intermediate in industrial manufacturing, used as a precursor in the synthesis of fragrance-related chemicals and in resin, coating, and adhesive formulations where a woody, aldehydic character is desired. Additionally, it may be evaluated for use in household products to impart distinctive scent profiles, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2454.58
    methanol 2752.12
    isopropanol 2391.09
    water 11.24
    ethyl acetate 5539.62
    n-propanol 2098.85
    acetone 7079.17
    n-butanol 1956.68
    acetonitrile 5365.83
    DMF 3977.36
    toluene 2127.12
    isobutanol 1473.82
    1,4-dioxane 7940.84
    methyl acetate 4271.85
    THF 9324.31
    2-butanone 3787.63
    n-pentanol 564.06
    sec-butanol 1083.75
    n-hexane 75.92
    ethylene glycol 551.89
    NMP 1830.83
    cyclohexane 403.99
    DMSO 3313.27
    n-butyl acetate 1942.57
    n-octanol 260.93
    chloroform 10596.18
    n-propyl acetate 1366.41
    acetic acid 2463.5
    dichloromethane 9991.74
    cyclohexanone 4538.92
    propylene glycol 501.46
    isopropyl acetate 3097.65
    DMAc 1387.78
    2-ethoxyethanol 1311.74
    isopentanol 1615.86
    n-heptane 85.89
    ethyl formate 2954.24
    1,2-dichloroethane 6336.33
    n-hexanol 861.89
    2-methoxyethanol 3675.38
    isobutyl acetate 787.91
    tetrachloromethane 1361.53
    n-pentyl acetate 761.81
    transcutol 5801.94
    n-heptanol 312.94
    ethylbenzene 484.24
    MIBK 2012.82
    2-propoxyethanol 2139.6
    tert-butanol 2046.95
    MTBE 2228.43
    2-butoxyethanol 866.99
    propionic acid 1935.51
    o-xylene 731.56
    formic acid 987.73
    diethyl ether 3727.67
    m-xylene 1109.66
    p-xylene 598.7
    chlorobenzene 2824.54
    dimethyl carbonate 1693.55
    n-octane 35.82
    formamide 2005.02
    cyclopentanone 6207.73
    2-pentanone 3580.66
    anisole 1391.37
    cyclopentyl methyl ether 3074.39
    gamma-butyrolactone 7090.67
    1-methoxy-2-propanol 2659.35
    pyridine 4743.71
    3-pentanone 2250.65
    furfural 4062.11
    n-dodecane 29.67
    diethylene glycol 1714.52
    diisopropyl ether 978.25
    tert-amyl alcohol 831.8
    acetylacetone 4298.52
    n-hexadecane 36.13
    acetophenone 955.82
    methyl propionate 3082.05
    isopentyl acetate 1494.26
    trichloroethylene 10400.41
    n-nonanol 233.63
    cyclohexanol 1515.47
    benzyl alcohol 846.45
    2-ethylhexanol 399.25
    isooctanol 254.03
    dipropyl ether 907.0
    1,2-dichlorobenzene 1940.54
    ethyl lactate 464.86
    propylene carbonate 3195.63
    n-methylformamide 3510.92
    2-pentanol 1098.83
    n-pentane 157.51
    1-propoxy-2-propanol 1242.91
    1-methoxy-2-propyl acetate 2093.04
    2-(2-methoxypropoxy) propanol 621.36
    mesitylene 649.87
    ε-caprolactone 3259.28
    p-cymene 275.35
    epichlorohydrin 8903.01
    1,1,1-trichloroethane 5162.86
    2-aminoethanol 876.69
    morpholine-4-carbaldehyde 2907.77
    sulfolane 3453.59
    2,2,4-trimethylpentane 66.82
    2-methyltetrahydrofuran 4758.06
    n-hexyl acetate 1006.1
    isooctane 92.17
    2-(2-butoxyethoxy)ethanol 1146.66
    sec-butyl acetate 949.8
    tert-butyl acetate 2381.66
    decalin 101.71
    glycerin 740.96
    diglyme 2707.73
    acrylic acid 1611.47
    isopropyl myristate 310.99
    n-butyric acid 3274.05
    acetyl acetate 2837.24
    di(2-ethylhexyl) phthalate 258.71
    ethyl propionate 1318.25
    nitromethane 6607.56
    1,2-diethoxyethane 2288.43
    benzonitrile 1872.0
    trioctyl phosphate 181.15
    1-bromopropane 2609.07
    gamma-valerolactone 6386.66
    n-decanol 171.0
    triethyl phosphate 321.97
    4-methyl-2-pentanol 660.0
    propionitrile 3336.64
    vinylene carbonate 3016.07
    1,1,2-trichlorotrifluoroethane 2384.11
    DMS 1147.73
    cumene 289.53
    2-octanol 190.79
    2-hexanone 1030.17
    octyl acetate 364.98
    limonene 374.8
    1,2-dimethoxyethane 2557.51
    ethyl orthosilicate 327.81
    tributyl phosphate 272.6
    diacetone alcohol 1717.78
    N,N-dimethylaniline 518.2
    acrylonitrile 3969.88
    aniline 2085.2
    1,3-propanediol 1940.82
    bromobenzene 2934.44
    dibromomethane 5503.95
    1,1,2,2-tetrachloroethane 5802.7
    2-methyl-cyclohexyl acetate 541.36
    tetrabutyl urea 276.84
    diisobutyl methanol 333.91
    2-phenylethanol 917.19
    styrene 723.39
    dioctyl adipate 388.41
    dimethyl sulfate 1386.73
    ethyl butyrate 1147.11
    methyl lactate 993.54
    butyl lactate 490.35
    diethyl carbonate 704.95
    propanediol butyl ether 605.87
    triethyl orthoformate 626.09
    p-tert-butyltoluene 270.75
    methyl 4-tert-butylbenzoate 613.46
    morpholine 6220.01
    tert-butylamine 1137.53
    n-dodecanol 131.07
    dimethoxymethane 4416.36
    ethylene carbonate 2918.53
    cyrene 519.88
    2-ethoxyethyl acetate 1492.53
    2-ethylhexyl acetate 962.08
    1,2,4-trichlorobenzene 1928.3
    4-methylpyridine 3918.12
    dibutyl ether 599.58
    2,6-dimethyl-4-heptanol 333.91
    DEF 2223.79
    dimethyl isosorbide 1238.03
    tetrachloroethylene 3854.37
    eugenol 544.61
    triacetin 831.52
    span 80 488.06
    1,4-butanediol 407.38
    1,1-dichloroethane 6562.27
    2-methyl-1-pentanol 478.82
    methyl formate 3310.18
    2-methyl-1-butanol 1044.7
    n-decane 50.89
    butyronitrile 3122.58
    3,7-dimethyl-1-octanol 326.22
    1-chlorooctane 249.82
    1-chlorotetradecane 95.8
    n-nonane 48.86
    undecane 37.95
    tert-butylcyclohexane 82.99
    cyclooctane 131.47
    cyclopentanol 1833.39
    tetrahydropyran 6048.51
    tert-amyl methyl ether 906.94
    2,5,8-trioxanonane 1282.13
    1-hexene 325.62
    2-isopropoxyethanol 861.35
    2,2,2-trifluoroethanol 1244.64
    methyl butyrate 1583.33

    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