1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde

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  • Identifiers

    CAS number
    68991-97-9

    Molecular formula
    C13H20O

    SMILES
    CC1(CCCC2=C1CC(CC2)C=O)C

  • Odor profile

    Fragrance
    Floral 70.44%
    Woody 53.45%
    Muguet 44.14%
    Ozone 43.77%
    Aldehydic 43.43%
    Fresh 43.08%
    Clean 39.92%
    Amber 38.58%
    Lily 36.94%
    Dry 36.78%

     

    Flavor
    Woody 40.88%
    Fruity 39.82%
    Spicy 35.91%
    Herbal 33.73%
    Spice 32.35%
    Sweet 29.98%
    Camphor 27.37%
    Minty 27.26%
    Fresh 26.87%
    Mint 26.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.05 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    275°C

    Flash point

    • 100.74 ˚C est.

  • Synonyms

    • Cyclomugual
    • 68991-97-9
    • CYCLOMYRAL
    • 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde
    • UNII-86K5N052WT
    • MELAFLEUR
    • 86K5N052WT
    • EINECS 273-661-8
    • 1,2,3,4,5,6,7,8-OCTAHYDRO-8,8-DIMETHYL-2,NAPHTHALDEHYDE
    • 2-Naphthalenecarboxaldehyde, 1,2,3,4,5,6,7,8-octahydro-8,8-dimethyl-
    • DTXSID3052434
    • 8,8-Dimethyl-1,2,3,4,5,6,7,8-octahydro-2-naphthalenecarboxaldehyde
    • 1,2,3,4,5,6,7,8-OCTAHYDRO-8,8-DIMETHYL-2-NAPHTHALDEHYDE, (+/-)-
    • 8,8-DIMETHYL-1,2,3,4,5,6,7,8-OCTAHYDRONAPHTHALENE-2-CARBOXALDEHYDE
    • muguet carboxaldehyde
    • SCHEMBL229947
    • DTXCID5031006
    • AQJANVUPNABWRU-UHFFFAOYSA-N
    • AKOS006228536
    • NS00013057
    • Q27269747
    • 273-661-8
    • Cyclozonal

  • Applications

    1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde (CAS 68991-97-9) is used mainly as a fragrance ingredient and intermediate in fragrance chemistry, evaluated for use in cosmetic and personal-care formulations, applied in household products to impart scent, and employed as a precursor for fragrance-related polymer and coating systems (polymers, paints, and inks), as well as used in industrial manufacturing as a specialty fragrance intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 860.37
    methanol 830.1
    isopropanol 645.09
    water 0.52
    ethyl acetate 3488.48
    n-propanol 900.35
    acetone 4971.35
    n-butanol 668.3
    acetonitrile 3195.88
    DMF 4135.63
    toluene 2317.87
    isobutanol 549.84
    1,4-dioxane 3858.96
    methyl acetate 3266.99
    THF 6988.08
    2-butanone 3862.89
    n-pentanol 272.84
    sec-butanol 472.69
    n-hexane 51.33
    ethylene glycol 135.29
    NMP 3260.71
    cyclohexane 199.81
    DMSO 3403.83
    n-butyl acetate 1779.14
    n-octanol 192.67
    chloroform 6377.47
    n-propyl acetate 1381.03
    acetic acid 826.18
    dichloromethane 7835.92
    cyclohexanone 4864.82
    propylene glycol 165.85
    isopropyl acetate 1759.63
    DMAc 1871.69
    2-ethoxyethanol 702.56
    isopentanol 549.26
    n-heptane 43.07
    ethyl formate 1915.51
    1,2-dichloroethane 5481.56
    n-hexanol 461.55
    2-methoxyethanol 1646.66
    isobutyl acetate 688.97
    tetrachloromethane 800.95
    n-pentyl acetate 922.92
    transcutol 5585.5
    n-heptanol 196.12
    ethylbenzene 619.16
    MIBK 1142.98
    2-propoxyethanol 1276.68
    tert-butanol 685.03
    MTBE 1300.27
    2-butoxyethanol 600.9
    propionic acid 1042.23
    o-xylene 895.43
    formic acid 303.83
    diethyl ether 2012.83
    m-xylene 1130.75
    p-xylene 741.32
    chlorobenzene 3006.52
    dimethyl carbonate 1157.38
    n-octane 15.6
    formamide 991.11
    cyclopentanone 7393.16
    2-pentanone 2782.05
    anisole 1496.22
    cyclopentyl methyl ether 2508.21
    gamma-butyrolactone 8013.19
    1-methoxy-2-propanol 1188.34
    pyridine 4534.1
    3-pentanone 2313.57
    furfural 4808.14
    n-dodecane 10.55
    diethylene glycol 702.62
    diisopropyl ether 466.6
    tert-amyl alcohol 460.49
    acetylacetone 3452.87
    n-hexadecane 14.0
    acetophenone 1280.77
    methyl propionate 2755.79
    isopentyl acetate 1334.79
    trichloroethylene 9865.68
    n-nonanol 165.54
    cyclohexanol 751.47
    benzyl alcohol 778.41
    2-ethylhexanol 284.58
    isooctanol 171.42
    dipropyl ether 620.93
    1,2-dichlorobenzene 2266.14
    ethyl lactate 382.63
    propylene carbonate 2703.95
    n-methylformamide 2818.6
    2-pentanol 382.61
    n-pentane 65.83
    1-propoxy-2-propanol 855.33
    1-methoxy-2-propyl acetate 1831.29
    2-(2-methoxypropoxy) propanol 660.17
    mesitylene 566.35
    ε-caprolactone 3631.82
    p-cymene 305.82
    epichlorohydrin 8111.09
    1,1,1-trichloroethane 4280.3
    2-aminoethanol 320.18
    morpholine-4-carbaldehyde 3116.63
    sulfolane 5598.29
    2,2,4-trimethylpentane 37.3
    2-methyltetrahydrofuran 4089.36
    n-hexyl acetate 1229.39
    isooctane 36.19
    2-(2-butoxyethoxy)ethanol 982.06
    sec-butyl acetate 823.8
    tert-butyl acetate 1550.06
    decalin 80.66
    glycerin 251.5
    diglyme 2452.67
    acrylic acid 924.52
    isopropyl myristate 325.52
    n-butyric acid 1488.88
    acetyl acetate 1768.79
    di(2-ethylhexyl) phthalate 288.87
    ethyl propionate 1351.99
    nitromethane 4595.44
    1,2-diethoxyethane 1738.93
    benzonitrile 1955.76
    trioctyl phosphate 192.88
    1-bromopropane 2048.28
    gamma-valerolactone 6683.48
    n-decanol 111.13
    triethyl phosphate 361.08
    4-methyl-2-pentanol 230.45
    propionitrile 2169.01
    vinylene carbonate 2596.8
    1,1,2-trichlorotrifluoroethane 2107.97
    DMS 1399.02
    cumene 317.68
    2-octanol 134.62
    2-hexanone 1185.43
    octyl acetate 411.88
    limonene 398.56
    1,2-dimethoxyethane 1814.74
    ethyl orthosilicate 336.99
    tributyl phosphate 310.41
    diacetone alcohol 1128.6
    N,N-dimethylaniline 665.6
    acrylonitrile 3149.85
    aniline 1928.61
    1,3-propanediol 563.28
    bromobenzene 3375.21
    dibromomethane 4187.76
    1,1,2,2-tetrachloroethane 5369.03
    2-methyl-cyclohexyl acetate 607.79
    tetrabutyl urea 334.12
    diisobutyl methanol 201.66
    2-phenylethanol 847.93
    styrene 942.45
    dioctyl adipate 494.05
    dimethyl sulfate 1581.77
    ethyl butyrate 1013.73
    methyl lactate 619.7
    butyl lactate 575.74
    diethyl carbonate 652.79
    propanediol butyl ether 514.95
    triethyl orthoformate 573.21
    p-tert-butyltoluene 303.98
    methyl 4-tert-butylbenzoate 771.09
    morpholine 4041.03
    tert-butylamine 415.18
    n-dodecanol 77.56
    dimethoxymethane 2591.02
    ethylene carbonate 2228.89
    cyrene 595.98
    2-ethoxyethyl acetate 1800.89
    2-ethylhexyl acetate 988.11
    1,2,4-trichlorobenzene 2601.34
    4-methylpyridine 4564.78
    dibutyl ether 470.74
    2,6-dimethyl-4-heptanol 201.66
    DEF 2395.86
    dimethyl isosorbide 1611.75
    tetrachloroethylene 3151.44
    eugenol 669.61
    triacetin 1048.26
    span 80 476.34
    1,4-butanediol 139.34
    1,1-dichloroethane 4764.26
    2-methyl-1-pentanol 272.69
    methyl formate 2403.55
    2-methyl-1-butanol 478.68
    n-decane 21.82
    butyronitrile 1725.57
    3,7-dimethyl-1-octanol 251.22
    1-chlorooctane 207.38
    1-chlorotetradecane 57.26
    n-nonane 21.77
    undecane 14.51
    tert-butylcyclohexane 65.31
    cyclooctane 69.51
    cyclopentanol 1027.75
    tetrahydropyran 3993.55
    tert-amyl methyl ether 718.73
    2,5,8-trioxanonane 1227.7
    1-hexene 266.13
    2-isopropoxyethanol 496.32
    2,2,2-trifluoroethanol 412.99
    methyl butyrate 1700.23

    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