Octahydro-5,5-dimethylnaphthalene-2-carbaldehyde

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  • Identifiers

    CAS number
    68738-96-5

    Molecular formula
    C13H20O

    SMILES
    CC1(CCCC2C1C=CC(C2)C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Green 78.04%
    Aldehydic 63.82%
    Fresh 53.41%
    Floral 52.87%
    Woody 45.93%
    Ozone 43.83%
    Herbal 41.37%
    Citrus 37.83%
    Muguet 35.92%
    Leafy 35.73%

     

    Flavor
    Spice 45.22%
    Herbal 41.55%
    Spicy 41.38%
    Sweet 39.62%
    Woody 37.93%
    Mint 34.29%
    Fresh 31.07%
    Green 29.82%
    Minty 28.88%
    Fruity 27.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.05 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 113.51 ˚C est.

  • Synonyms

    • DTXSID0052417
    • RefChem:366773
    • DTXCID6030990
    • 272-120-3
    • 68738-96-5
    • octahydro-5,5-dimethylnaphthalene-2-carbaldehyde
    • CLZIIFKAONSYLI-UHFFFAOYSA-N
    • 5,5-Dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde
    • 68738-96-5

  • Applications

    Octahydro-5,5-dimethylnaphthalene-2-carbaldehyde (CAS 68738-96-5) is used primarily as a fragrance intermediate and odorant in perfumery, often functioning as an odorant or fixative in perfumes and personal care formulations. It is also evaluated as a synthetic building block to prepare other aroma compounds in the fragrance industry, can contribute as a fragrance component in household and cleaning products, and may be considered as a precursor for aroma compounds in flavor applications, depending on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 667.78
    methanol 604.55
    isopropanol 510.87
    water 0.54
    ethyl acetate 1554.89
    n-propanol 707.07
    acetone 1796.44
    n-butanol 588.48
    acetonitrile 1032.23
    DMF 1354.66
    toluene 1318.42
    isobutanol 448.96
    1,4-dioxane 1694.65
    methyl acetate 1231.21
    THF 3020.25
    2-butanone 1535.41
    n-pentanol 274.52
    sec-butanol 394.32
    n-hexane 85.28
    ethylene glycol 89.42
    NMP 1155.23
    cyclohexane 214.32
    DMSO 1255.98
    n-butyl acetate 1020.92
    n-octanol 165.02
    chloroform 2929.28
    n-propyl acetate 684.87
    acetic acid 438.21
    dichloromethane 2721.98
    cyclohexanone 1723.92
    propylene glycol 140.18
    isopropyl acetate 884.68
    DMAc 699.22
    2-ethoxyethanol 476.31
    isopentanol 537.93
    n-heptane 49.77
    ethyl formate 741.18
    1,2-dichloroethane 2121.93
    n-hexanol 470.72
    2-methoxyethanol 948.43
    isobutyl acetate 397.5
    tetrachloromethane 522.85
    n-pentyl acetate 437.37
    transcutol 3305.9
    n-heptanol 181.02
    ethylbenzene 371.13
    MIBK 716.3
    2-propoxyethanol 885.79
    tert-butanol 555.5
    MTBE 908.07
    2-butoxyethanol 417.94
    propionic acid 551.66
    o-xylene 536.1
    formic acid 179.91
    diethyl ether 1296.77
    m-xylene 737.24
    p-xylene 396.85
    chlorobenzene 1440.36
    dimethyl carbonate 503.79
    n-octane 16.01
    formamide 391.45
    cyclopentanone 2316.21
    2-pentanone 1344.95
    anisole 753.06
    cyclopentyl methyl ether 1394.79
    gamma-butyrolactone 2358.87
    1-methoxy-2-propanol 806.49
    pyridine 1703.34
    3-pentanone 1026.94
    furfural 1657.29
    n-dodecane 9.79
    diethylene glycol 478.01
    diisopropyl ether 359.6
    tert-amyl alcohol 412.22
    acetylacetone 1272.43
    n-hexadecane 12.46
    acetophenone 566.78
    methyl propionate 1194.64
    isopentyl acetate 806.75
    trichloroethylene 3578.03
    n-nonanol 144.28
    cyclohexanol 596.14
    benzyl alcohol 457.83
    2-ethylhexanol 289.59
    isooctanol 155.43
    dipropyl ether 434.53
    1,2-dichlorobenzene 1037.22
    ethyl lactate 225.98
    propylene carbonate 1002.53
    n-methylformamide 978.21
    2-pentanol 381.12
    n-pentane 102.6
    1-propoxy-2-propanol 644.1
    1-methoxy-2-propyl acetate 1013.61
    2-(2-methoxypropoxy) propanol 409.17
    mesitylene 397.75
    ε-caprolactone 1362.82
    p-cymene 215.12
    epichlorohydrin 2766.45
    1,1,1-trichloroethane 1815.73
    2-aminoethanol 233.35
    morpholine-4-carbaldehyde 1222.0
    sulfolane 1861.47
    2,2,4-trimethylpentane 46.69
    2-methyltetrahydrofuran 1943.59
    n-hexyl acetate 572.61
    isooctane 49.99
    2-(2-butoxyethoxy)ethanol 649.58
    sec-butyl acetate 471.64
    tert-butyl acetate 817.59
    decalin 81.6
    glycerin 187.82
    diglyme 1280.04
    acrylic acid 431.82
    isopropyl myristate 174.2
    n-butyric acid 830.85
    acetyl acetate 691.03
    di(2-ethylhexyl) phthalate 167.36
    ethyl propionate 659.82
    nitromethane 1199.58
    1,2-diethoxyethane 1107.23
    benzonitrile 822.43
    trioctyl phosphate 119.39
    1-bromopropane 1150.14
    gamma-valerolactone 2253.13
    n-decanol 102.43
    triethyl phosphate 204.51
    4-methyl-2-pentanol 253.61
    propionitrile 910.91
    vinylene carbonate 926.36
    1,1,2-trichlorotrifluoroethane 973.95
    DMS 562.86
    cumene 213.22
    2-octanol 109.77
    2-hexanone 624.87
    octyl acetate 222.34
    limonene 290.32
    1,2-dimethoxyethane 913.85
    ethyl orthosilicate 209.78
    tributyl phosphate 178.39
    diacetone alcohol 742.76
    N,N-dimethylaniline 388.24
    acrylonitrile 1032.63
    aniline 1152.59
    1,3-propanediol 414.75
    bromobenzene 1535.79
    dibromomethane 1880.16
    1,1,2,2-tetrachloroethane 2257.15
    2-methyl-cyclohexyl acetate 339.63
    tetrabutyl urea 189.65
    diisobutyl methanol 182.93
    2-phenylethanol 545.05
    styrene 514.58
    dioctyl adipate 249.64
    dimethyl sulfate 611.61
    ethyl butyrate 562.55
    methyl lactate 356.53
    butyl lactate 335.35
    diethyl carbonate 337.73
    propanediol butyl ether 377.85
    triethyl orthoformate 346.59
    p-tert-butyltoluene 214.83
    methyl 4-tert-butylbenzoate 382.16
    morpholine 1892.77
    tert-butylamine 399.69
    n-dodecanol 73.41
    dimethoxymethane 1249.38
    ethylene carbonate 819.48
    cyrene 327.97
    2-ethoxyethyl acetate 784.29
    2-ethylhexyl acetate 631.22
    1,2,4-trichlorobenzene 1167.81
    4-methylpyridine 1872.46
    dibutyl ether 318.11
    2,6-dimethyl-4-heptanol 182.93
    DEF 995.02
    dimethyl isosorbide 837.29
    tetrachloroethylene 1455.03
    eugenol 362.73
    triacetin 499.82
    span 80 312.81
    1,4-butanediol 114.65
    1,1-dichloroethane 2061.46
    2-methyl-1-pentanol 274.96
    methyl formate 765.32
    2-methyl-1-butanol 439.85
    n-decane 20.33
    butyronitrile 864.54
    3,7-dimethyl-1-octanol 227.25
    1-chlorooctane 152.01
    1-chlorotetradecane 43.65
    n-nonane 20.58
    undecane 13.55
    tert-butylcyclohexane 67.95
    cyclooctane 82.94
    cyclopentanol 626.89
    tetrahydropyran 2043.16
    tert-amyl methyl ether 531.16
    2,5,8-trioxanonane 699.88
    1-hexene 293.6
    2-isopropoxyethanol 352.56
    2,2,2-trifluoroethanol 212.56
    methyl butyrate 745.13

    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