4,7-Methano-1H-indene-5-carboxaldehyde, octahydro-6-methyl-

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  • Identifiers

    CAS number
    1338815-87-4

    Molecular formula
    C12H18O

    SMILES
    CC1C2CC(C1C=O)C3C2CCC3

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 84.28%
    Woody 59.87%
    Aldehydic 52.42%
    Fresh 51.17%
    Floral 50.83%
    Fruity 46.42%
    Herbal 44.04%
    Leafy 33.47%
    Melon 31.08%
    Ozone 28.86%

     

    Flavor
    Bitter 35.01%
    Fruity 31.26%
    Herbal 28.68%
    Sweet 26.08%
    Fruit 25.23%
    Herb 23.92%
    Alkaline 22.0%
    Cedarleaf 21.87%
    Terpentine 21.34%
    Shrimp 21.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.16 (neutral)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    258°C

    Flash point

    • 84.95 ˚C est.

  • Synonyms

    • 4,7-Methano-1H-indene-5-carboxaldehyde, octahydro-6-methyl-
    • 1338815-87-4
    • DTXSID00889291
    • RefChem:508320
    • DTXCID201028554
    • SCHEMBL14889942
    • QAJOFHCKLGLYPO-UHFFFAOYSA-N
    • 6-Methyloctahydro-1H-4,7-methanoindene-5-carbaldehyde
    • 1338815-87-4

  • Applications

    4,7-Methano-1H-indene-5-carboxaldehyde, octahydro-6-methyl- (CAS 1338815-87-4) is principally used as a synthetic intermediate in fragrance and flavor chemistry, where its aldehyde functionality enables further transformations to yield aroma compounds and perfumery materials. It may serve as a building block for new aroma molecules and for specialty polymers or elastomer formulations, participating in aldehyde-typical reactions. In cosmetics and personal care, it is often used as a fragrance precursor or ingredient. It can also be employed in coatings, inks, and adhesive formulations as a reactive aldehyde component for crosslinking or imine formation. In research and development, it is used as an organic synthesis intermediate, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3637.82
    methanol 3461.35
    isopropanol 4142.07
    water 15.15
    ethyl acetate 5868.7
    n-propanol 3387.9
    acetone 9376.48
    n-butanol 3043.83
    acetonitrile 7655.13
    DMF 5375.98
    toluene 2671.91
    isobutanol 2455.53
    1,4-dioxane 9756.83
    methyl acetate 5257.41
    THF 11900.74
    2-butanone 5100.09
    n-pentanol 797.65
    sec-butanol 1775.27
    n-hexane 115.15
    ethylene glycol 598.35
    NMP 1766.34
    cyclohexane 540.53
    DMSO 3902.49
    n-butyl acetate 2234.39
    n-octanol 357.7
    chloroform 12707.78
    n-propyl acetate 1789.45
    acetic acid 2335.39
    dichloromethane 11699.48
    cyclohexanone 5180.06
    propylene glycol 649.95
    isopropyl acetate 3549.6
    DMAc 1592.67
    2-ethoxyethanol 1723.91
    isopentanol 2326.18
    n-heptane 103.96
    ethyl formate 3414.11
    1,2-dichloroethane 7778.31
    n-hexanol 1146.84
    2-methoxyethanol 4620.18
    isobutyl acetate 1021.04
    tetrachloromethane 1790.26
    n-pentyl acetate 960.21
    transcutol 5257.53
    n-heptanol 405.07
    ethylbenzene 663.31
    MIBK 2342.51
    2-propoxyethanol 2715.07
    tert-butanol 3480.04
    MTBE 3776.89
    2-butoxyethanol 1075.65
    propionic acid 2262.87
    o-xylene 982.93
    formic acid 879.05
    diethyl ether 4967.16
    m-xylene 1424.49
    p-xylene 892.91
    chlorobenzene 3202.29
    dimethyl carbonate 1595.5
    n-octane 52.52
    formamide 2038.58
    cyclopentanone 7298.42
    2-pentanone 4274.71
    anisole 1631.47
    cyclopentyl methyl ether 3644.17
    gamma-butyrolactone 7738.24
    1-methoxy-2-propanol 3212.68
    pyridine 6034.4
    3-pentanone 2634.66
    furfural 4313.03
    n-dodecane 42.07
    diethylene glycol 1884.87
    diisopropyl ether 1272.23
    tert-amyl alcohol 1316.38
    acetylacetone 4788.45
    n-hexadecane 52.38
    acetophenone 1089.41
    methyl propionate 3377.47
    isopentyl acetate 1791.02
    trichloroethylene 11491.28
    n-nonanol 305.76
    cyclohexanol 1968.31
    benzyl alcohol 1021.45
    2-ethylhexanol 492.8
    isooctanol 341.39
    dipropyl ether 1093.26
    1,2-dichlorobenzene 2139.7
    ethyl lactate 543.74
    propylene carbonate 3164.08
    n-methylformamide 4599.39
    2-pentanol 1572.91
    n-pentane 246.36
    1-propoxy-2-propanol 1555.65
    1-methoxy-2-propyl acetate 2250.53
    2-(2-methoxypropoxy) propanol 718.32
    mesitylene 812.27
    ε-caprolactone 3645.65
    p-cymene 327.06
    epichlorohydrin 10014.91
    1,1,1-trichloroethane 6877.59
    2-aminoethanol 1166.97
    morpholine-4-carbaldehyde 2977.84
    sulfolane 3893.46
    2,2,4-trimethylpentane 89.95
    2-methyltetrahydrofuran 5782.26
    n-hexyl acetate 1233.84
    isooctane 128.53
    2-(2-butoxyethoxy)ethanol 1217.43
    sec-butyl acetate 1175.17
    tert-butyl acetate 2719.5
    decalin 133.46
    glycerin 833.44
    diglyme 2913.95
    acrylic acid 1691.13
    isopropyl myristate 381.61
    n-butyric acid 3811.61
    acetyl acetate 2783.57
    di(2-ethylhexyl) phthalate 282.03
    ethyl propionate 1556.78
    nitromethane 6941.64
    1,2-diethoxyethane 2533.4
    benzonitrile 2264.97
    trioctyl phosphate 211.85
    1-bromopropane 3625.43
    gamma-valerolactone 7288.58
    n-decanol 225.28
    triethyl phosphate 364.5
    4-methyl-2-pentanol 885.59
    propionitrile 4994.84
    vinylene carbonate 3161.58
    1,1,2-trichlorotrifluoroethane 2500.69
    DMS 1296.08
    cumene 379.45
    2-octanol 262.42
    2-hexanone 1379.93
    octyl acetate 437.08
    limonene 431.94
    1,2-dimethoxyethane 3527.09
    ethyl orthosilicate 361.73
    tributyl phosphate 301.5
    diacetone alcohol 1951.66
    N,N-dimethylaniline 625.26
    acrylonitrile 5546.69
    aniline 2593.27
    1,3-propanediol 2553.9
    bromobenzene 3468.01
    dibromomethane 6948.67
    1,1,2,2-tetrachloroethane 6800.58
    2-methyl-cyclohexyl acetate 592.66
    tetrabutyl urea 310.44
    diisobutyl methanol 415.92
    2-phenylethanol 1091.92
    styrene 915.39
    dioctyl adipate 444.13
    dimethyl sulfate 1451.77
    ethyl butyrate 1254.78
    methyl lactate 1026.28
    butyl lactate 568.94
    diethyl carbonate 800.46
    propanediol butyl ether 674.22
    triethyl orthoformate 721.53
    p-tert-butyltoluene 331.26
    methyl 4-tert-butylbenzoate 720.53
    morpholine 8012.35
    tert-butylamine 1952.58
    n-dodecanol 175.49
    dimethoxymethane 4900.61
    ethylene carbonate 3014.69
    cyrene 559.7
    2-ethoxyethyl acetate 1639.58
    2-ethylhexyl acetate 1088.54
    1,2,4-trichlorobenzene 2142.27
    4-methylpyridine 5035.28
    dibutyl ether 763.72
    2,6-dimethyl-4-heptanol 415.92
    DEF 2478.47
    dimethyl isosorbide 1370.21
    tetrachloroethylene 4263.1
    eugenol 673.73
    triacetin 870.0
    span 80 541.07
    1,4-butanediol 535.71
    1,1-dichloroethane 8959.42
    2-methyl-1-pentanol 611.18
    methyl formate 3875.23
    2-methyl-1-butanol 1486.23
    n-decane 72.51
    butyronitrile 4503.39
    3,7-dimethyl-1-octanol 420.34
    1-chlorooctane 337.95
    1-chlorotetradecane 130.02
    n-nonane 70.23
    undecane 53.8
    tert-butylcyclohexane 111.27
    cyclooctane 168.99
    cyclopentanol 2450.16
    tetrahydropyran 7465.46
    tert-amyl methyl ether 1295.02
    2,5,8-trioxanonane 1362.26
    1-hexene 475.31
    2-isopropoxyethanol 1107.21
    2,2,2-trifluoroethanol 1219.15
    methyl butyrate 1989.98

    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