2H-2,4a-Methanonaphthalene-8-carboxaldehyde, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-

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  • Identifiers

    CAS number
    61826-54-8

    Molecular formula
    C16H24O

    SMILES
    CC1(CCC(=C2[C@@]13CC[C@@H](C3)C2(C)C)C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 89.73%
    Amber 60.45%
    Dry 55.0%
    Cedar 50.74%
    Musk 46.62%
    Vetiver 43.17%
    Sandalwood 42.76%
    Powdery 36.39%
    Tobacco 33.71%
    Orris 33.64%

     

    Flavor
    Woody 71.43%
    Camphor 50.47%
    Sweet 43.5%
    Herbal 40.08%
    Pine 36.8%
    Dry 35.26%
    Spicy 32.74%
    Balsam 32.54%
    Wood 29.61%
    Powdery 28.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.9 (neutral)

    Molecular weight
    232.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    316°C

    Flash point

    • 142.34 ˚C est.

  • Synonyms

    • EINECS 263-252-2
    • 2H-2,4a-Methanonaphthalene-8-carboxaldehyde, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-
    • DTXSID10885926
    • 2H-2,4a-Methanonaphthalene-8-carboxaldehyde, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-
    • RefChem:484199
    • DTXCID901025282
    • 61826-54-8
    • (2S)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene-8-carbaldehyde
    • VXQBLEIANTXQDP-LRDDRELGSA-N
    • (2S,4aR)-1,1,5,5-Tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalene-8-carbaldehyde
    • 61826-54-8

  • Applications

    2H-2,4a-Methanonaphthalene-8-carboxaldehyde, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)- (CAS 61826-54-8) is primarily used as a fragrance-related odorant and fragrance intermediate in perfumery; it may be employed as a chiral building block in chemical synthesis for cosmetics and personal care formulations; it can be used in household product fragrances; in industrial manufacturing it functions as a specialty chemical/intermediate for the synthesis of complex organic molecules; in polymers/plastics, it may serve as a chiral monomer or additive in the development of specialty polymers. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.86
    methanol 137.12
    isopropanol 126.0
    water 1.25
    ethyl acetate 325.91
    n-propanol 126.98
    acetone 468.23
    n-butanol 124.27
    acetonitrile 289.22
    DMF 667.79
    toluene 400.18
    isobutanol 95.71
    1,4-dioxane 547.34
    methyl acetate 312.72
    THF 1305.64
    2-butanone 361.01
    n-pentanol 54.07
    sec-butanol 77.32
    n-hexane 7.32
    ethylene glycol 44.12
    NMP 413.86
    cyclohexane 22.56
    DMSO 242.68
    n-butyl acetate 174.55
    n-octanol 46.38
    chloroform 846.42
    n-propyl acetate 144.41
    acetic acid 97.55
    dichloromethane 705.3
    cyclohexanone 578.87
    propylene glycol 42.25
    isopropyl acetate 246.71
    DMAc 349.82
    2-ethoxyethanol 116.89
    isopentanol 103.57
    n-heptane 9.1
    ethyl formate 200.53
    1,2-dichloroethane 487.52
    n-hexanol 107.04
    2-methoxyethanol 294.25
    isobutyl acetate 118.25
    tetrachloromethane 131.82
    n-pentyl acetate 134.28
    transcutol 218.8
    n-heptanol 63.62
    ethylbenzene 121.75
    MIBK 219.11
    2-propoxyethanol 266.68
    tert-butanol 129.26
    MTBE 159.0
    2-butoxyethanol 152.43
    propionic acid 111.92
    o-xylene 171.6
    formic acid 47.84
    diethyl ether 197.22
    m-xylene 243.8
    p-xylene 156.17
    chlorobenzene 395.95
    dimethyl carbonate 214.3
    n-octane 5.65
    formamide 107.07
    cyclopentanone 947.2
    2-pentanone 339.41
    anisole 248.06
    cyclopentyl methyl ether 391.73
    gamma-butyrolactone 902.8
    1-methoxy-2-propanol 284.83
    pyridine 583.61
    3-pentanone 257.45
    furfural 623.54
    n-dodecane 4.56
    diethylene glycol 179.05
    diisopropyl ether 70.54
    tert-amyl alcohol 76.37
    acetylacetone 452.94
    n-hexadecane 5.63
    acetophenone 220.52
    methyl propionate 297.89
    isopentyl acetate 173.72
    trichloroethylene 953.83
    n-nonanol 47.1
    cyclohexanol 129.04
    benzyl alcohol 149.34
    2-ethylhexanol 61.3
    isooctanol 52.73
    dipropyl ether 86.54
    1,2-dichlorobenzene 328.18
    ethyl lactate 81.27
    propylene carbonate 382.84
    n-methylformamide 309.74
    2-pentanol 79.29
    n-pentane 11.31
    1-propoxy-2-propanol 160.68
    1-methoxy-2-propyl acetate 264.87
    2-(2-methoxypropoxy) propanol 107.37
    mesitylene 129.76
    ε-caprolactone 414.2
    p-cymene 69.43
    epichlorohydrin 935.41
    1,1,1-trichloroethane 461.84
    2-aminoethanol 71.55
    morpholine-4-carbaldehyde 509.76
    sulfolane 569.19
    2,2,4-trimethylpentane 7.51
    2-methyltetrahydrofuran 485.37
    n-hexyl acetate 157.15
    isooctane 8.71
    2-(2-butoxyethoxy)ethanol 137.3
    sec-butyl acetate 116.64
    tert-butyl acetate 251.76
    decalin 14.81
    glycerin 76.94
    diglyme 310.03
    acrylic acid 110.74
    isopropyl myristate 65.63
    n-butyric acid 183.12
    acetyl acetate 249.13
    di(2-ethylhexyl) phthalate 68.58
    ethyl propionate 166.03
    nitromethane 376.26
    1,2-diethoxyethane 127.23
    benzonitrile 294.71
    trioctyl phosphate 50.55
    1-bromopropane 215.97
    gamma-valerolactone 937.52
    n-decanol 34.28
    triethyl phosphate 72.75
    4-methyl-2-pentanol 62.53
    propionitrile 280.19
    vinylene carbonate 395.69
    1,1,2-trichlorotrifluoroethane 316.15
    DMS 227.45
    cumene 75.83
    2-octanol 41.43
    2-hexanone 140.85
    octyl acetate 76.1
    limonene 77.08
    1,2-dimethoxyethane 275.64
    ethyl orthosilicate 68.78
    tributyl phosphate 56.54
    diacetone alcohol 212.1
    N,N-dimethylaniline 140.12
    acrylonitrile 396.64
    aniline 267.84
    1,3-propanediol 128.12
    bromobenzene 436.43
    dibromomethane 414.55
    1,1,2,2-tetrachloroethane 553.01
    2-methyl-cyclohexyl acetate 119.37
    tetrabutyl urea 74.45
    diisobutyl methanol 46.71
    2-phenylethanol 194.09
    styrene 145.34
    dioctyl adipate 81.9
    dimethyl sulfate 278.7
    ethyl butyrate 127.95
    methyl lactate 139.01
    butyl lactate 99.72
    diethyl carbonate 96.36
    propanediol butyl ether 88.11
    triethyl orthoformate 94.82
    p-tert-butyltoluene 74.86
    methyl 4-tert-butylbenzoate 187.0
    morpholine 514.18
    tert-butylamine 73.12
    n-dodecanol 25.63
    dimethoxymethane 525.67
    ethylene carbonate 326.79
    cyrene 151.71
    2-ethoxyethyl acetate 206.36
    2-ethylhexyl acetate 134.84
    1,2,4-trichlorobenzene 344.83
    4-methylpyridine 589.97
    dibutyl ether 53.51
    2,6-dimethyl-4-heptanol 46.71
    DEF 268.2
    dimethyl isosorbide 267.28
    tetrachloroethylene 363.49
    eugenol 167.55
    triacetin 153.55
    span 80 90.58
    1,4-butanediol 39.57
    1,1-dichloroethane 461.73
    2-methyl-1-pentanol 50.76
    methyl formate 281.81
    2-methyl-1-butanol 83.16
    n-decane 8.19
    butyronitrile 245.92
    3,7-dimethyl-1-octanol 51.06
    1-chlorooctane 43.28
    1-chlorotetradecane 17.57
    n-nonane 7.06
    undecane 5.96
    tert-butylcyclohexane 13.96
    cyclooctane 9.78
    cyclopentanol 172.57
    tetrahydropyran 469.8
    tert-amyl methyl ether 105.44
    2,5,8-trioxanonane 186.86
    1-hexene 35.87
    2-isopropoxyethanol 90.67
    2,2,2-trifluoroethanol 91.42
    methyl butyrate 188.29

    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