2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-

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  • Identifiers

    CAS number
    34131-98-1

    Molecular formula
    C13H22O

    SMILES
    CC(C)C1CCC2CC(=O)CCC2C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 78.31%
    Green 68.11%
    Floral 65.36%
    Fresh 58.48%
    Herbal 51.27%
    Mint 43.09%
    Muguet 37.15%
    Spicy 36.91%
    Aldehydic 36.03%
    Dry 34.6%

     

    Flavor
    Herbal 46.86%
    Minty 36.68%
    Spice 36.21%
    Herb 35.65%
    Woody 30.89%
    Fruity 27.41%
    Mint 26.56%
    Fresh 24.98%
    Green 23.81%
    Wood 23.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.02 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 273.00 to 274.00 °C. @ 760.00 mm Hg

    Flash point

    • 104.19 ˚C est.

    Solubility expt.

    • 32 mg/L @ 20 °C (exp)

  • Synonyms

    • Decatone
    • 34131-98-1
    • 6-Isopropyl-2-decalone
    • 6-Isopropyldecalone
    • 6-isopropyloctahydronaphthalen-2(1h)-one
    • 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-
    • 6-Isopropyl-3,4,4a,5,6,7,8,8a-octahydro-2(1H)-naphthalenone
    • 6-Isopropyl-2(1H)-octahydronaphthalenone
    • 3,4,4a,5,6,7,8,8a-Octahydro-6-isopropylnaphthalene-2(1H)-one
    • 6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
    • DTXSID10865703
    • Octahydro-6-(1-methylethyl)-2(1H)-Naphthalenone
    • Octahydro-6-isopropyl-2(1H)-naphthalenone
    • EINECS 251-840-1
    • 6-(propan-2-yl)-decahydronaphthalen-2-one
    • UNII-2F97U2I94O
    • SCHEMBL1171505
    • DTXCID20814080
    • HEKJOMVJRYMUDB-UHFFFAOYSA-N
    • 2F97U2I94O
    • AKOS006277038
    • Octahydro-6-isopropylnaphthalen-2(1h)-one
    • DB-210079
    • NS00012763
    • Octahydro-6-(1-methylethyl)-2(1H)-naphthalenone, 9CI

  • Applications

    2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- is primarily used as an organic synthetic intermediate and a ketone building block. In practice, it may be evaluated for fragrance and flavor chemistry as an odorant precursor or scent scaffold, and it can serve as a starting material for the synthesis of saturated polycyclic ketones in pharmaceutical and agrochemical research. The compound may also find niche use in polymers and coatings as a rigid hydrocarbon ketone building block or as a precursor in specialty materials and cosmetic formulations, depending on regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1718.69
    methanol 1169.06
    isopropanol 1969.92
    water 0.54
    ethyl acetate 2134.22
    n-propanol 1510.96
    acetone 2673.29
    n-butanol 1289.37
    acetonitrile 2326.22
    DMF 1364.21
    toluene 1305.02
    isobutanol 1005.5
    1,4-dioxane 4061.91
    methyl acetate 1788.44
    THF 3412.88
    2-butanone 2090.25
    n-pentanol 546.0
    sec-butanol 917.42
    n-hexane 112.11
    ethylene glycol 119.77
    NMP 550.82
    cyclohexane 314.84
    DMSO 1012.0
    n-butyl acetate 1416.6
    n-octanol 323.36
    chloroform 4424.16
    n-propyl acetate 886.98
    acetic acid 656.98
    dichloromethane 3397.43
    cyclohexanone 2006.76
    propylene glycol 258.74
    isopropyl acetate 1215.75
    DMAc 710.05
    2-ethoxyethanol 755.72
    isopentanol 1014.16
    n-heptane 97.14
    ethyl formate 1073.14
    1,2-dichloroethane 1956.09
    n-hexanol 959.77
    2-methoxyethanol 1528.46
    isobutyl acetate 571.07
    tetrachloromethane 588.37
    n-pentyl acetate 609.28
    transcutol 3663.25
    n-heptanol 335.07
    ethylbenzene 425.14
    MIBK 792.38
    2-propoxyethanol 1392.68
    tert-butanol 1703.61
    MTBE 1756.2
    2-butoxyethanol 637.69
    propionic acid 804.13
    o-xylene 539.86
    formic acid 134.09
    diethyl ether 2078.03
    m-xylene 704.27
    p-xylene 537.16
    chlorobenzene 1247.02
    dimethyl carbonate 333.51
    n-octane 43.91
    formamide 292.59
    cyclopentanone 1990.73
    2-pentanone 1529.43
    anisole 806.67
    cyclopentyl methyl ether 1207.72
    gamma-butyrolactone 1902.69
    1-methoxy-2-propanol 1252.0
    pyridine 2481.08
    3-pentanone 973.81
    furfural 1511.84
    n-dodecane 31.81
    diethylene glycol 704.89
    diisopropyl ether 503.47
    tert-amyl alcohol 766.35
    acetylacetone 1411.57
    n-hexadecane 38.94
    acetophenone 591.27
    methyl propionate 1071.58
    isopentyl acetate 1110.45
    trichloroethylene 3310.15
    n-nonanol 270.02
    cyclohexanol 975.1
    benzyl alcohol 577.4
    2-ethylhexanol 447.96
    isooctanol 273.62
    dipropyl ether 749.74
    1,2-dichlorobenzene 860.86
    ethyl lactate 264.45
    propylene carbonate 979.83
    n-methylformamide 857.46
    2-pentanol 797.71
    n-pentane 141.66
    1-propoxy-2-propanol 1085.39
    1-methoxy-2-propyl acetate 1098.54
    2-(2-methoxypropoxy) propanol 526.15
    mesitylene 396.71
    ε-caprolactone 1589.7
    p-cymene 251.83
    epichlorohydrin 2446.77
    1,1,1-trichloroethane 2174.66
    2-aminoethanol 397.16
    morpholine-4-carbaldehyde 1209.5
    sulfolane 1101.67
    2,2,4-trimethylpentane 56.04
    2-methyltetrahydrofuran 2145.79
    n-hexyl acetate 790.59
    isooctane 67.26
    2-(2-butoxyethoxy)ethanol 862.29
    sec-butyl acetate 625.63
    tert-butyl acetate 995.34
    decalin 97.66
    glycerin 264.17
    diglyme 1782.98
    acrylic acid 494.94
    isopropyl myristate 279.49
    n-butyric acid 1453.14
    acetyl acetate 923.74
    di(2-ethylhexyl) phthalate 211.92
    ethyl propionate 715.39
    nitromethane 1522.12
    1,2-diethoxyethane 1657.53
    benzonitrile 1131.68
    trioctyl phosphate 151.85
    1-bromopropane 1354.99
    gamma-valerolactone 2467.22
    n-decanol 195.49
    triethyl phosphate 233.69
    4-methyl-2-pentanol 447.47
    propionitrile 1847.69
    vinylene carbonate 1010.48
    1,1,2-trichlorotrifluoroethane 965.29
    DMS 559.94
    cumene 260.39
    2-octanol 230.86
    2-hexanone 834.35
    octyl acetate 327.29
    limonene 353.99
    1,2-dimethoxyethane 1610.66
    ethyl orthosilicate 241.06
    tributyl phosphate 209.88
    diacetone alcohol 786.33
    N,N-dimethylaniline 383.42
    acrylonitrile 1756.4
    aniline 1184.94
    1,3-propanediol 790.47
    bromobenzene 1356.95
    dibromomethane 2224.77
    1,1,2,2-tetrachloroethane 2469.27
    2-methyl-cyclohexyl acetate 415.32
    tetrabutyl urea 229.53
    diisobutyl methanol 313.78
    2-phenylethanol 629.09
    styrene 566.74
    dioctyl adipate 328.68
    dimethyl sulfate 325.87
    ethyl butyrate 771.3
    methyl lactate 344.87
    butyl lactate 402.66
    diethyl carbonate 454.25
    propanediol butyl ether 522.4
    triethyl orthoformate 462.84
    p-tert-butyltoluene 255.09
    methyl 4-tert-butylbenzoate 443.63
    morpholine 3548.26
    tert-butylamine 1096.73
    n-dodecanol 147.51
    dimethoxymethane 1167.51
    ethylene carbonate 962.13
    cyrene 317.98
    2-ethoxyethyl acetate 938.63
    2-ethylhexyl acetate 745.63
    1,2,4-trichlorobenzene 946.73
    4-methylpyridine 2176.52
    dibutyl ether 661.87
    2,6-dimethyl-4-heptanol 313.78
    DEF 950.4
    dimethyl isosorbide 824.88
    tetrachloroethylene 1432.96
    eugenol 415.46
    triacetin 620.09
    span 80 417.49
    1,4-butanediol 210.09
    1,1-dichloroethane 2688.53
    2-methyl-1-pentanol 422.91
    methyl formate 649.18
    2-methyl-1-butanol 689.97
    n-decane 61.11
    butyronitrile 1846.68
    3,7-dimethyl-1-octanol 361.78
    1-chlorooctane 267.24
    1-chlorotetradecane 97.57
    n-nonane 59.89
    undecane 41.94
    tert-butylcyclohexane 89.72
    cyclooctane 94.4
    cyclopentanol 919.87
    tetrahydropyran 3490.36
    tert-amyl methyl ether 673.08
    2,5,8-trioxanonane 940.78
    1-hexene 476.77
    2-isopropoxyethanol 582.09
    2,2,2-trifluoroethanol 214.69
    methyl butyrate 944.98

    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