2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-

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  • Identifiers

    CAS number
    68991-96-8

    Molecular formula
    C13H20O

    SMILES
    CC1(CCCC2=C1CCC(C2)C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 69.74%
    Woody 50.06%
    Aldehydic 44.25%
    Fresh 44.14%
    Muguet 42.77%
    Ozone 42.52%
    Green 40.05%
    Clean 38.41%
    Amber 36.35%
    Lily 35.9%

     

    Flavor
    Woody 43.08%
    Fruity 38.89%
    Spicy 36.94%
    Spice 33.2%
    Herbal 33.06%
    Sweet 31.06%
    Fresh 27.04%
    Camphor 26.61%
    Minty 25.99%
    Mint 25.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.2 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    277°C

    Flash point

    • 108.11 ˚C est.

  • Synonyms

    • 68991-96-8
    • 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl-
    • EINECS 273-660-2
    • 5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carbaldehyde
    • DTXSID80867794
    • 1,2,3,4,5,6,7,8-Octahydro-5,5-dimethylnaphthalene-2-carbaldehyde
    • 5,5-Dimethyl-1,2,3,4,5,6,7,8-octahydro-2-naphthalenecarboxaldehyde
    • SCHEMBL15199501
    • DTXCID80815952
    • POLSEKWMVQFBBA-UHFFFAOYSA-N
    • NS00013059
    • 5,5-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbaldehyde
    • 273-660-2
    • Cyclozonal

  • Applications

    2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-5,5-dimethyl- (CAS 68991-96-8) is typically employed as a synthetic intermediate in fragrance and cosmetic chemistry, serving as a precursor to various aroma compounds. In the pharmaceutical sector, it may be used as a building block for intermediates and derivatives in chemical synthesis. In industrial manufacturing, it can function as a building block for alicyclic compounds and monomers used in specialty polymers and coatings. In the polymers/plastics and coatings industries, it may be used as a precursor to monomers or functional derivatives for specialty polymers and surface coatings, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 391.07
    methanol 458.21
    isopropanol 263.02
    water 0.38
    ethyl acetate 1386.21
    n-propanol 423.79
    acetone 1609.58
    n-butanol 338.87
    acetonitrile 1229.92
    DMF 1498.88
    toluene 1426.2
    isobutanol 242.75
    1,4-dioxane 1881.23
    methyl acetate 1178.11
    THF 2831.33
    2-butanone 1276.41
    n-pentanol 159.23
    sec-butanol 201.19
    n-hexane 40.99
    ethylene glycol 64.04
    NMP 1347.93
    cyclohexane 133.96
    DMSO 1150.29
    n-butyl acetate 943.47
    n-octanol 98.77
    chloroform 3308.25
    n-propyl acetate 635.68
    acetic acid 436.1
    dichloromethane 3365.98
    cyclohexanone 1828.73
    propylene glycol 74.81
    isopropyl acetate 756.03
    DMAc 773.98
    2-ethoxyethanol 386.33
    isopentanol 292.51
    n-heptane 26.89
    ethyl formate 737.26
    1,2-dichloroethane 2428.34
    n-hexanol 271.26
    2-methoxyethanol 747.76
    isobutyl acetate 349.6
    tetrachloromethane 526.79
    n-pentyl acetate 441.68
    transcutol 3222.37
    n-heptanol 115.94
    ethylbenzene 392.21
    MIBK 539.44
    2-propoxyethanol 698.83
    tert-butanol 309.74
    MTBE 572.87
    2-butoxyethanol 342.36
    propionic acid 456.11
    o-xylene 562.45
    formic acid 177.24
    diethyl ether 952.86
    m-xylene 669.86
    p-xylene 438.75
    chlorobenzene 1679.57
    dimethyl carbonate 484.78
    n-octane 8.14
    formamide 447.31
    cyclopentanone 2343.72
    2-pentanone 1061.06
    anisole 941.61
    cyclopentyl methyl ether 1131.57
    gamma-butyrolactone 2681.96
    1-methoxy-2-propanol 531.87
    pyridine 2279.97
    3-pentanone 903.16
    furfural 2141.33
    n-dodecane 5.26
    diethylene glycol 405.69
    diisopropyl ether 246.99
    tert-amyl alcohol 226.29
    acetylacetone 1298.16
    n-hexadecane 6.88
    acetophenone 699.42
    methyl propionate 1059.73
    isopentyl acetate 739.92
    trichloroethylene 4396.06
    n-nonanol 87.89
    cyclohexanol 373.1
    benzyl alcohol 475.83
    2-ethylhexanol 181.56
    isooctanol 102.49
    dipropyl ether 355.3
    1,2-dichlorobenzene 1309.96
    ethyl lactate 202.64
    propylene carbonate 1080.13
    n-methylformamide 1052.66
    2-pentanol 187.66
    n-pentane 46.52
    1-propoxy-2-propanol 487.48
    1-methoxy-2-propyl acetate 990.51
    2-(2-methoxypropoxy) propanol 401.18
    mesitylene 341.63
    ε-caprolactone 1444.1
    p-cymene 199.86
    epichlorohydrin 3110.15
    1,1,1-trichloroethane 2041.36
    2-aminoethanol 154.07
    morpholine-4-carbaldehyde 1492.67
    sulfolane 2028.22
    2,2,4-trimethylpentane 24.49
    2-methyltetrahydrofuran 1609.45
    n-hexyl acetate 547.78
    isooctane 25.66
    2-(2-butoxyethoxy)ethanol 572.1
    sec-butyl acetate 414.0
    tert-butyl acetate 751.0
    decalin 55.73
    glycerin 132.17
    diglyme 1375.43
    acrylic acid 413.98
    isopropyl myristate 169.19
    n-butyric acid 690.42
    acetyl acetate 761.27
    di(2-ethylhexyl) phthalate 172.92
    ethyl propionate 614.88
    nitromethane 1579.92
    1,2-diethoxyethane 1008.32
    benzonitrile 1044.15
    trioctyl phosphate 106.12
    1-bromopropane 1004.62
    gamma-valerolactone 2545.83
    n-decanol 59.86
    triethyl phosphate 221.56
    4-methyl-2-pentanol 135.11
    propionitrile 925.37
    vinylene carbonate 1104.72
    1,1,2-trichlorotrifluoroethane 1052.75
    DMS 690.3
    cumene 202.9
    2-octanol 68.29
    2-hexanone 547.82
    octyl acetate 209.8
    limonene 240.98
    1,2-dimethoxyethane 963.78
    ethyl orthosilicate 215.45
    tributyl phosphate 172.6
    diacetone alcohol 553.24
    N,N-dimethylaniline 432.32
    acrylonitrile 1288.07
    aniline 1146.54
    1,3-propanediol 275.48
    bromobenzene 1867.52
    dibromomethane 2012.12
    1,1,2,2-tetrachloroethane 2579.91
    2-methyl-cyclohexyl acetate 347.04
    tetrabutyl urea 182.46
    diisobutyl methanol 122.49
    2-phenylethanol 519.53
    styrene 602.12
    dioctyl adipate 268.42
    dimethyl sulfate 650.79
    ethyl butyrate 532.1
    methyl lactate 293.03
    butyl lactate 300.13
    diethyl carbonate 363.98
    propanediol butyl ether 275.22
    triethyl orthoformate 354.31
    p-tert-butyltoluene 196.3
    methyl 4-tert-butylbenzoate 433.21
    morpholine 1833.54
    tert-butylamine 221.05
    n-dodecanol 41.54
    dimethoxymethane 1073.92
    ethylene carbonate 935.27
    cyrene 337.95
    2-ethoxyethyl acetate 878.28
    2-ethylhexyl acetate 569.84
    1,2,4-trichlorobenzene 1465.59
    4-methylpyridine 2210.82
    dibutyl ether 244.03
    2,6-dimethyl-4-heptanol 122.49
    DEF 1018.47
    dimethyl isosorbide 885.56
    tetrachloroethylene 1716.95
    eugenol 398.17
    triacetin 568.72
    span 80 279.53
    1,4-butanediol 76.85
    1,1-dichloroethane 2056.14
    2-methyl-1-pentanol 165.06
    methyl formate 821.09
    2-methyl-1-butanol 234.23
    n-decane 11.43
    butyronitrile 740.47
    3,7-dimethyl-1-octanol 141.44
    1-chlorooctane 108.5
    1-chlorotetradecane 29.19
    n-nonane 10.88
    undecane 7.52
    tert-butylcyclohexane 46.16
    cyclooctane 47.3
    cyclopentanol 416.42
    tetrahydropyran 1798.72
    tert-amyl methyl ether 345.75
    2,5,8-trioxanonane 746.84
    1-hexene 175.98
    2-isopropoxyethanol 270.68
    2,2,2-trifluoroethanol 213.84
    methyl butyrate 715.8

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.38 % Category 7A
Rinse-off products applied to the hair with some hand contact
 4.4 %
Category 2
Products applied to the axillae
 0.11 % Category 7B
Leave-on products applied to the hair with some hand contact
 4.4 %
Category 3
Products applied to the face/body using fingertips
 2.3 % Category 8
Products with significant anogenital exposure
 0.23 %
Category 4
Products related to fine fragrance
 2.1 % Category 9
Products with body and hand exposure, primarily rinse off
 4.2 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.54 % Category 10A
Household care products with mostly hand contact
 15 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.54 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 15 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.54 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 8.3 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.54 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 8.3 %
Category 6
Products with oral and lip exposure
 1.3 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction