Octahydro-8,8-dimethylnaphthalene-2-carbaldehyde

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  • Identifiers

    CAS number
    68738-94-3

    Molecular formula
    C13H20O

    SMILES
    CC1(CCCC2C1CC(C=C2)C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Green 73.67%
    Aldehydic 63.44%
    Floral 56.1%
    Fresh 53.78%
    Woody 46.98%
    Ozone 44.65%
    Herbal 43.05%
    Citrus 38.46%
    Muguet 37.07%
    Spicy 34.36%

     

    Flavor
    Spice 45.58%
    Herbal 41.8%
    Sweet 41.05%
    Spicy 39.82%
    Woody 37.6%
    Mint 35.08%
    Fresh 30.75%
    Minty 28.64%
    Green 28.6%
    Herb 27.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.09 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 105.2 ˚C est.

  • Synonyms

    • DTXSID3051549
    • RefChem:202398
    • DTXCID7030989
    • 68738-94-3
    • OCTAHYDRO-8,8-DIMETHYLNAPHTHALENE-2-CARBALDEHYDE
    • ZIDMHIDJTRPYQZ-UHFFFAOYSA-N
    • 8,8-Dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde
    • 68738-94-3

  • Applications

    Octahydro-8,8-dimethylnaphthalene-2-carbaldehyde (CAS 68738-94-3) is typically used as a fragrance intermediate and odorant in perfumery, often serving as a building block for more complex aroma chemicals. In cosmetics and personal care, it may appear as a fragrance ingredient within formulations, subject to formulation limits and local regulations. It can also function in household products such as air fresheners and cleaners as a fragrance component. In industrial manufacturing, it is used as an intermediate for the synthesis of other aroma compounds or for certain polymer and coating formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1255.28
    methanol 862.94
    isopropanol 1008.58
    water 0.85
    ethyl acetate 3267.75
    n-propanol 1281.1
    acetone 4072.72
    n-butanol 1017.98
    acetonitrile 2076.64
    DMF 2862.99
    toluene 1603.3
    isobutanol 834.41
    1,4-dioxane 2879.75
    methyl acetate 2723.12
    THF 6448.61
    2-butanone 3516.74
    n-pentanol 388.13
    sec-butanol 752.08
    n-hexane 80.55
    ethylene glycol 157.29
    NMP 2273.82
    cyclohexane 239.99
    DMSO 2885.26
    n-butyl acetate 1612.22
    n-octanol 243.47
    chloroform 4686.76
    n-propyl acetate 1212.43
    acetic acid 737.59
    dichloromethane 5234.58
    cyclohexanone 3534.33
    propylene glycol 258.18
    isopropyl acetate 1660.71
    DMAc 1410.56
    2-ethoxyethanol 767.31
    isopentanol 856.2
    n-heptane 64.73
    ethyl formate 1602.04
    1,2-dichloroethane 3966.17
    n-hexanol 674.15
    2-methoxyethanol 1785.31
    isobutyl acetate 620.78
    tetrachloromethane 691.84
    n-pentyl acetate 720.5
    transcutol 5110.22
    n-heptanol 242.14
    ethylbenzene 469.95
    MIBK 1243.84
    2-propoxyethanol 1435.67
    tert-butanol 998.46
    MTBE 1547.03
    2-butoxyethanol 634.76
    propionic acid 1117.07
    o-xylene 717.19
    formic acid 287.8
    diethyl ether 2204.51
    m-xylene 995.26
    p-xylene 542.81
    chlorobenzene 2051.13
    dimethyl carbonate 1006.48
    n-octane 23.08
    formamide 820.55
    cyclopentanone 5535.92
    2-pentanone 2836.98
    anisole 1079.61
    cyclopentyl methyl ether 2434.69
    gamma-butyrolactone 5714.39
    1-methoxy-2-propanol 1538.76
    pyridine 2821.4
    3-pentanone 2043.69
    furfural 2988.3
    n-dodecane 15.06
    diethylene glycol 770.42
    diisopropyl ether 555.85
    tert-amyl alcohol 689.7
    acetylacetone 2768.87
    n-hexadecane 19.16
    acetophenone 886.14
    methyl propionate 2498.57
    isopentyl acetate 1205.56
    trichloroethylene 6740.61
    n-nonanol 206.11
    cyclohexanol 905.36
    benzyl alcohol 610.18
    2-ethylhexanol 374.66
    isooctanol 210.64
    dipropyl ether 696.72
    1,2-dichlorobenzene 1532.97
    ethyl lactate 371.54
    propylene carbonate 2166.39
    n-methylformamide 2132.17
    2-pentanol 634.81
    n-pentane 116.19
    1-propoxy-2-propanol 991.48
    1-methoxy-2-propyl acetate 1620.79
    2-(2-methoxypropoxy) propanol 608.1
    mesitylene 537.0
    ε-caprolactone 2747.24
    p-cymene 279.86
    epichlorohydrin 5992.11
    1,1,1-trichloroethane 3201.1
    2-aminoethanol 436.84
    morpholine-4-carbaldehyde 2101.79
    sulfolane 4112.05
    2,2,4-trimethylpentane 58.53
    2-methyltetrahydrofuran 3968.44
    n-hexyl acetate 1027.97
    isooctane 58.95
    2-(2-butoxyethoxy)ethanol 960.95
    sec-butyl acetate 770.61
    tert-butyl acetate 1393.08
    decalin 96.45
    glycerin 310.41
    diglyme 2007.8
    acrylic acid 851.02
    isopropyl myristate 283.73
    n-butyric acid 1563.76
    acetyl acetate 1403.84
    di(2-ethylhexyl) phthalate 247.39
    ethyl propionate 1188.74
    nitromethane 3041.52
    1,2-diethoxyethane 1665.67
    benzonitrile 1211.19
    trioctyl phosphate 185.57
    1-bromopropane 1908.24
    gamma-valerolactone 4711.77
    n-decanol 146.21
    triethyl phosphate 311.16
    4-methyl-2-pentanol 374.24
    propionitrile 1754.59
    vinylene carbonate 1827.99
    1,1,2-trichlorotrifluoroethane 1614.1
    DMS 1025.16
    cumene 272.07
    2-octanol 164.86
    2-hexanone 1068.11
    octyl acetate 363.21
    limonene 388.61
    1,2-dimethoxyethane 1495.16
    ethyl orthosilicate 301.23
    tributyl phosphate 286.59
    diacetone alcohol 1260.82
    N,N-dimethylaniline 507.19
    acrylonitrile 2149.82
    aniline 1484.02
    1,3-propanediol 732.91
    bromobenzene 2225.15
    dibromomethane 3237.88
    1,1,2,2-tetrachloroethane 3962.76
    2-methyl-cyclohexyl acetate 537.64
    tetrabutyl urea 296.01
    diisobutyl methanol 249.37
    2-phenylethanol 747.69
    styrene 627.27
    dioctyl adipate 405.97
    dimethyl sulfate 1304.95
    ethyl butyrate 936.26
    methyl lactate 661.43
    butyl lactate 541.19
    diethyl carbonate 552.45
    propanediol butyl ether 575.44
    triethyl orthoformate 527.67
    p-tert-butyltoluene 281.65
    methyl 4-tert-butylbenzoate 605.37
    morpholine 3261.54
    tert-butylamine 640.37
    n-dodecanol 106.81
    dimethoxymethane 2420.41
    ethylene carbonate 1602.04
    cyrene 526.05
    2-ethoxyethyl acetate 1342.31
    2-ethylhexyl acetate 902.81
    1,2,4-trichlorobenzene 1757.33
    4-methylpyridine 2834.52
    dibutyl ether 489.14
    2,6-dimethyl-4-heptanol 249.37
    DEF 1885.31
    dimethyl isosorbide 1408.73
    tetrachloroethylene 2295.38
    eugenol 539.41
    triacetin 828.25
    span 80 459.33
    1,4-butanediol 177.3
    1,1-dichloroethane 3882.86
    2-methyl-1-pentanol 386.07
    methyl formate 1796.08
    2-methyl-1-butanol 729.81
    n-decane 29.28
    butyronitrile 1595.8
    3,7-dimethyl-1-octanol 301.12
    1-chlorooctane 228.95
    1-chlorotetradecane 67.66
    n-nonane 29.1
    undecane 20.21
    tert-butylcyclohexane 81.49
    cyclooctane 94.49
    cyclopentanol 1192.35
    tetrahydropyran 3526.71
    tert-amyl methyl ether 885.04
    2,5,8-trioxanonane 1019.54
    1-hexene 340.17
    2-isopropoxyethanol 555.01
    2,2,2-trifluoroethanol 382.94
    methyl butyrate 1407.51

    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