2-Naphthalenecarboxaldehyde, octahydro-5,5-dimethyl-

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  • Identifiers

    Molecular formula
    C13H20O

    SMILES
    CC1(CCC=C2C1CCC(C2)C=O)C

  • Odor profile

    Fragrance
    Floral 69.2%
    Green 62.46%
    Aldehydic 57.57%
    Fresh 54.6%
    Ozone 49.17%
    Woody 46.98%
    Muguet 46.72%
    Lily 41.89%
    Sweet 38.6%
    Clean 38.16%

     

    Flavor
    Fruity 39.9%
    Spice 38.5%
    Spicy 38.43%
    Sweet 36.06%
    Herbal 35.75%
    Woody 33.9%
    Fresh 30.32%
    Mint 29.73%
    Green 29.52%
    Minty 27.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.93 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Flash point

    • 111.59 ˚C est.

  • Synonyms

    • Octahydro-5,5-dimethylnaphthalene-2-carbaldehyde
    • EINECS 272-120-3
    • Octahydro-5,5-dimethyl-2-naphthalene carboxaldehyde
    • 2-Naphthalenecarboxaldehyde, octahydro-5,5-dimethyl-
    • 5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalene-2-carbaldehyde
    • SCHEMBL2039249
    • OOLNKKHZTVAGAN-UHFFFAOYSA-N
    • NS00013058
    • 5,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2-carbaldehyde

  • Applications

    2-Naphthalenecarboxaldehyde, octahydro-5,5-dimethyl- is used primarily as a fragrance ingredient and a synthetic intermediate in the fragrance industry, where it can serve as an aroma constituent or as a fixative to extend scent. In cosmetics and personal care, it is commonly considered a fragrance ingredient or precursor for developing lasting fragrance formulations. In household cleaning products, it can be added as an aroma component to impart a characteristic scent. In industrial manufacturing, it acts as an intermediate for the synthesis of more complex organic compounds and as a building block for specialty polymers or resins. In the polymers/plastics sector, it may be used as a precursor to design specific polymer architectures. In coatings and inks, it can be incorporated for fragrance in odor-enabled finishes or used as a chemical intermediate in formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 439.22
    methanol 424.06
    isopropanol 331.07
    water 0.41
    ethyl acetate 1298.05
    n-propanol 478.52
    acetone 1490.83
    n-butanol 400.2
    acetonitrile 1014.14
    DMF 1249.7
    toluene 1364.7
    isobutanol 300.64
    1,4-dioxane 1598.58
    methyl acetate 1086.61
    THF 2527.15
    2-butanone 1311.67
    n-pentanol 191.06
    sec-butanol 258.88
    n-hexane 52.54
    ethylene glycol 66.04
    NMP 1118.82
    cyclohexane 155.37
    DMSO 1035.1
    n-butyl acetate 851.89
    n-octanol 125.45
    chloroform 2839.93
    n-propyl acetate 582.28
    acetic acid 379.49
    dichloromethane 2648.41
    cyclohexanone 1618.2
    propylene glycol 96.99
    isopropyl acetate 734.7
    DMAc 692.97
    2-ethoxyethanol 385.83
    isopentanol 361.0
    n-heptane 33.41
    ethyl formate 633.52
    1,2-dichloroethane 1914.87
    n-hexanol 319.79
    2-methoxyethanol 725.69
    isobutyl acetate 345.22
    tetrachloromethane 466.12
    n-pentyl acetate 415.11
    transcutol 3254.46
    n-heptanol 139.41
    ethylbenzene 369.26
    MIBK 575.7
    2-propoxyethanol 701.69
    tert-butanol 370.58
    MTBE 646.81
    2-butoxyethanol 358.23
    propionic acid 443.05
    o-xylene 540.69
    formic acid 150.65
    diethyl ether 968.12
    m-xylene 679.08
    p-xylene 400.68
    chlorobenzene 1409.74
    dimethyl carbonate 449.52
    n-octane 10.56
    formamide 344.75
    cyclopentanone 2075.81
    2-pentanone 1065.66
    anisole 792.5
    cyclopentyl methyl ether 1109.48
    gamma-butyrolactone 2136.14
    1-methoxy-2-propanol 587.03
    pyridine 1818.6
    3-pentanone 902.45
    furfural 1693.48
    n-dodecane 6.93
    diethylene glycol 392.69
    diisopropyl ether 273.73
    tert-amyl alcohol 280.16
    acetylacetone 1186.79
    n-hexadecane 8.98
    acetophenone 606.96
    methyl propionate 984.3
    isopentyl acetate 695.73
    trichloroethylene 3468.73
    n-nonanol 110.71
    cyclohexanol 439.1
    benzyl alcohol 448.02
    2-ethylhexanol 212.3
    isooctanol 121.3
    dipropyl ether 359.45
    1,2-dichlorobenzene 1066.72
    ethyl lactate 201.05
    propylene carbonate 921.31
    n-methylformamide 834.92
    2-pentanol 247.84
    n-pentane 62.49
    1-propoxy-2-propanol 516.61
    1-methoxy-2-propyl acetate 896.27
    2-(2-methoxypropoxy) propanol 405.5
    mesitylene 355.33
    ε-caprolactone 1253.99
    p-cymene 199.66
    epichlorohydrin 2530.6
    1,1,1-trichloroethane 1685.03
    2-aminoethanol 166.04
    morpholine-4-carbaldehyde 1227.45
    sulfolane 1656.51
    2,2,4-trimethylpentane 31.62
    2-methyltetrahydrofuran 1585.71
    n-hexyl acetate 542.71
    isooctane 33.27
    2-(2-butoxyethoxy)ethanol 600.5
    sec-butyl acetate 412.7
    tert-butyl acetate 712.8
    decalin 63.89
    glycerin 142.38
    diglyme 1275.59
    acrylic acid 373.98
    isopropyl myristate 173.01
    n-butyric acid 673.29
    acetyl acetate 667.04
    di(2-ethylhexyl) phthalate 167.33
    ethyl propionate 567.8
    nitromethane 1180.26
    1,2-diethoxyethane 986.75
    benzonitrile 871.26
    trioctyl phosphate 110.99
    1-bromopropane 957.21
    gamma-valerolactone 2107.93
    n-decanol 76.61
    triethyl phosphate 197.96
    4-methyl-2-pentanol 171.91
    propionitrile 823.91
    vinylene carbonate 915.62
    1,1,2-trichlorotrifluoroethane 928.53
    DMS 584.02
    cumene 201.09
    2-octanol 83.73
    2-hexanone 556.86
    octyl acetate 215.65
    limonene 245.44
    1,2-dimethoxyethane 852.75
    ethyl orthosilicate 198.36
    tributyl phosphate 170.07
    diacetone alcohol 592.21
    N,N-dimethylaniline 390.87
    acrylonitrile 1016.84
    aniline 1078.23
    1,3-propanediol 294.08
    bromobenzene 1551.77
    dibromomethane 1733.77
    1,1,2,2-tetrachloroethane 2174.45
    2-methyl-cyclohexyl acetate 320.02
    tetrabutyl urea 180.85
    diisobutyl methanol 140.42
    2-phenylethanol 492.8
    styrene 534.8
    dioctyl adipate 255.04
    dimethyl sulfate 566.45
    ethyl butyrate 483.36
    methyl lactate 289.76
    butyl lactate 306.27
    diethyl carbonate 320.83
    propanediol butyl ether 328.43
    triethyl orthoformate 323.98
    p-tert-butyltoluene 197.14
    methyl 4-tert-butylbenzoate 401.27
    morpholine 1670.05
    tert-butylamine 269.11
    n-dodecanol 54.11
    dimethoxymethane 981.0
    ethylene carbonate 779.66
    cyrene 321.95
    2-ethoxyethyl acetate 788.24
    2-ethylhexyl acetate 544.38
    1,2,4-trichlorobenzene 1209.34
    4-methylpyridine 1863.28
    dibutyl ether 268.4
    2,6-dimethyl-4-heptanol 140.42
    DEF 902.13
    dimethyl isosorbide 812.01
    tetrachloroethylene 1371.71
    eugenol 376.07
    triacetin 542.43
    span 80 292.74
    1,4-butanediol 86.89
    1,1-dichloroethane 1797.57
    2-methyl-1-pentanol 196.59
    methyl formate 668.13
    2-methyl-1-butanol 292.15
    n-decane 14.64
    butyronitrile 712.54
    3,7-dimethyl-1-octanol 170.8
    1-chlorooctane 123.54
    1-chlorotetradecane 34.32
    n-nonane 14.22
    undecane 9.73
    tert-butylcyclohexane 52.59
    cyclooctane 57.22
    cyclopentanol 454.41
    tetrahydropyran 1731.68
    tert-amyl methyl ether 395.08
    2,5,8-trioxanonane 712.42
    1-hexene 208.23
    2-isopropoxyethanol 290.62
    2,2,2-trifluoroethanol 187.21
    methyl butyrate 648.17

    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