2(1H)-Naphthalenone, octahydro-, cis-

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  • Identifiers

    CAS number
    1579-21-1

    Molecular formula
    C10H16O

    SMILES
    C1CC[C@@H]2CC(=O)CC[C@@H]2C1

    Safety labels

  • Odor profile

    Fragrance
    Woody 70.43%
    Floral 63.97%
    Fresh 53.5%
    Green 47.0%
    Mint 45.37%
    Animal 40.75%
    Natural 39.02%
    Ozone 37.62%
    Musk 37.08%
    Herbal 37.03%

     

    Flavor
    Minty 34.79%
    Animal 29.12%
    Shrimp 22.58%
    Camphor 22.27%
    Fruity 22.17%
    Mint 21.76%
    Alkaline 21.71%
    Beet 20.62%
    Soil 20.53%
    Plant 19.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.99 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    244°C

    Flash point

    • 90.58 ˚C est.

  • Synonyms

    • 2(1H)-Naphthalenone, octahydro-, cis-
    • RefChem:439764
    • cis-2-Decalone
    • 1579-21-1
    • 2-Decalone, cis-
    • cis-.beta.-Decalone
    • (4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
    • 1T26M36ZIE
    • NSC-59022
    • Octahydro-2(1H)-naphthalenone
    • (-)-cis-2-Decalone
    • 2-Decalone,c&t
    • cis-beta-Decalone
    • 2-Decalone (cis-trans)
    • cis-octahydro-naphthalen-2-one
    • NSC 59022
    • EINECS 216-422-5
    • (4aS,8aR)-2-Decalone
    • UNII-1T26M36ZIE
    • Octahydro-2(1H)-naphthalenone #
    • (+/-)-CIS-2-DECALONE
    • NSC59022
    • 3-CIS-BICYCLO(4.4.0)DECANONE
    • Q27252851
    • 1579-21-1

  • Applications

    2(1H)-Naphthalenone, octahydro-, cis- (CAS 1579-21-1) is used as a synthetic intermediate and building block in fragrance chemistry; in perfumery and cosmetics it may serve as a fragrance ingredient or fixative; it is evaluated as a specialty chemical precursor for polymer and coating formulations; it can be an intermediate in the synthesis of pharmaceutical and agrochemical compounds; and it may appear as a fragrance component in cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1490.25
    methanol 1309.32
    isopropanol 1373.91
    water 1.21
    ethyl acetate 3581.65
    n-propanol 1263.3
    acetone 5186.59
    n-butanol 1045.87
    acetonitrile 3942.45
    DMF 2954.73
    toluene 1305.88
    isobutanol 812.65
    1,4-dioxane 5341.02
    methyl acetate 3016.24
    THF 4545.91
    2-butanone 3041.06
    n-pentanol 403.42
    sec-butanol 726.96
    n-hexane 62.17
    ethylene glycol 245.49
    NMP 1644.41
    cyclohexane 255.48
    DMSO 3278.6
    n-butyl acetate 1399.54
    n-octanol 245.71
    chloroform 7312.32
    n-propyl acetate 995.2
    acetic acid 1385.74
    dichloromethane 6908.7
    cyclohexanone 3335.01
    propylene glycol 306.98
    isopropyl acetate 1491.56
    DMAc 1257.2
    2-ethoxyethanol 777.65
    isopentanol 794.63
    n-heptane 70.21
    ethyl formate 1706.82
    1,2-dichloroethane 4165.64
    n-hexanol 635.87
    2-methoxyethanol 1860.73
    isobutyl acetate 503.18
    tetrachloromethane 760.81
    n-pentyl acetate 643.88
    transcutol 5329.88
    n-heptanol 238.31
    ethylbenzene 376.3
    MIBK 910.33
    2-propoxyethanol 1352.35
    tert-butanol 1169.69
    MTBE 1200.39
    2-butoxyethanol 619.87
    propionic acid 1412.26
    o-xylene 508.49
    formic acid 360.47
    diethyl ether 2124.12
    m-xylene 619.76
    p-xylene 463.24
    chlorobenzene 1908.55
    dimethyl carbonate 771.93
    n-octane 29.05
    formamide 825.87
    cyclopentanone 4066.08
    2-pentanone 2113.79
    anisole 943.79
    cyclopentyl methyl ether 1529.02
    gamma-butyrolactone 4636.18
    1-methoxy-2-propanol 1386.33
    pyridine 3825.14
    3-pentanone 1541.15
    furfural 2925.72
    n-dodecane 24.04
    diethylene glycol 907.31
    diisopropyl ether 444.43
    tert-amyl alcohol 558.99
    acetylacetone 2670.43
    n-hexadecane 29.95
    acetophenone 692.59
    methyl propionate 2043.74
    isopentyl acetate 959.55
    trichloroethylene 7055.44
    n-nonanol 213.42
    cyclohexanol 889.95
    benzyl alcohol 583.49
    2-ethylhexanol 320.12
    isooctanol 196.98
    dipropyl ether 674.51
    1,2-dichlorobenzene 1306.22
    ethyl lactate 295.41
    propylene carbonate 1839.42
    n-methylformamide 1947.91
    2-pentanol 592.66
    n-pentane 89.18
    1-propoxy-2-propanol 894.94
    1-methoxy-2-propyl acetate 1209.67
    2-(2-methoxypropoxy) propanol 565.53
    mesitylene 349.32
    ε-caprolactone 2423.03
    p-cymene 210.4
    epichlorohydrin 4930.57
    1,1,1-trichloroethane 3253.73
    2-aminoethanol 500.75
    morpholine-4-carbaldehyde 2268.27
    sulfolane 3049.99
    2,2,4-trimethylpentane 35.92
    2-methyltetrahydrofuran 2776.39
    n-hexyl acetate 885.57
    isooctane 40.49
    2-(2-butoxyethoxy)ethanol 1020.75
    sec-butyl acetate 586.47
    tert-butyl acetate 1178.37
    decalin 74.48
    glycerin 409.31
    diglyme 2217.02
    acrylic acid 1061.89
    isopropyl myristate 275.24
    n-butyric acid 1990.59
    acetyl acetate 1643.54
    di(2-ethylhexyl) phthalate 227.0
    ethyl propionate 939.37
    nitromethane 4440.46
    1,2-diethoxyethane 1919.46
    benzonitrile 1400.65
    trioctyl phosphate 156.19
    1-bromopropane 1771.11
    gamma-valerolactone 4447.44
    n-decanol 155.44
    triethyl phosphate 238.4
    4-methyl-2-pentanol 308.25
    propionitrile 2274.95
    vinylene carbonate 1769.75
    1,1,2-trichlorotrifluoroethane 1685.43
    DMS 832.09
    cumene 202.24
    2-octanol 160.08
    2-hexanone 836.28
    octyl acetate 339.21
    limonene 297.74
    1,2-dimethoxyethane 1714.98
    ethyl orthosilicate 230.43
    tributyl phosphate 235.93
    diacetone alcohol 952.28
    N,N-dimethylaniline 389.25
    acrylonitrile 2805.28
    aniline 1293.04
    1,3-propanediol 980.42
    bromobenzene 2009.16
    dibromomethane 3831.55
    1,1,2,2-tetrachloroethane 4497.28
    2-methyl-cyclohexyl acetate 414.26
    tetrabutyl urea 255.24
    diisobutyl methanol 226.53
    2-phenylethanol 616.91
    styrene 572.65
    dioctyl adipate 388.54
    dimethyl sulfate 835.35
    ethyl butyrate 809.11
    methyl lactate 551.46
    butyl lactate 423.1
    diethyl carbonate 495.05
    propanediol butyl ether 551.29
    triethyl orthoformate 438.78
    p-tert-butyltoluene 202.0
    methyl 4-tert-butylbenzoate 498.35
    morpholine 4477.07
    tert-butylamine 628.04
    n-dodecanol 117.71
    dimethoxymethane 1962.85
    ethylene carbonate 1572.11
    cyrene 383.58
    2-ethoxyethyl acetate 1185.73
    2-ethylhexyl acetate 663.77
    1,2,4-trichlorobenzene 1455.34
    4-methylpyridine 2847.78
    dibutyl ether 566.25
    2,6-dimethyl-4-heptanol 226.53
    DEF 1663.7
    dimethyl isosorbide 1007.56
    tetrachloroethylene 2614.91
    eugenol 461.15
    triacetin 806.92
    span 80 484.1
    1,4-butanediol 228.14
    1,1-dichloroethane 4145.23
    2-methyl-1-pentanol 308.56
    methyl formate 1611.07
    2-methyl-1-butanol 576.36
    n-decane 42.41
    butyronitrile 1901.45
    3,7-dimethyl-1-octanol 275.49
    1-chlorooctane 231.56
    1-chlorotetradecane 84.64
    n-nonane 42.27
    undecane 30.94
    tert-butylcyclohexane 59.95
    cyclooctane 74.02
    cyclopentanol 1085.09
    tetrahydropyran 3932.0
    tert-amyl methyl ether 580.76
    2,5,8-trioxanonane 1148.43
    1-hexene 289.85
    2-isopropoxyethanol 550.41
    2,2,2-trifluoroethanol 520.03
    methyl butyrate 1176.21

    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