Dihydronootkatone

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  • Identifiers

    CAS number
    20489-53-6

    Molecular formula
    C15H24O

    SMILES
    C[C@@H]1CC(=O)C[C@H]2[C@]1(C[C@@H](CC2)C(=C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Woody 63.71%
    Citrus 58.5%
    Herbal 55.7%
    Fresh 53.19%
    Green 49.61%
    Spicy 45.52%
    Mint 42.64%
    Sweet 40.41%
    Fruity 38.36%
    Terpenic 36.93%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point est.
    109.84 ˚C

    Solubility expt.

    • Soluble in ethers, fats; Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Dihydronootkatone
    • 1,10-Dihydronootkatone
    • 20489-53-6
    • UNII-V06626C1NF
    • V06626C1NF
    • 4Betah,5alpha-eremophil-11-en-2-one
    • 2(1H)-Naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R,8aS)-
    • DIHYDRONOOTKATONE [FHFI]
    • FEMA NO. 3776
    • DTXSID30174460
    • 2(1H)-Naphthalenone, octahydro-4,4A-dimethyl-6-(1-methylethenyl)-, (4R-(4alpha,4aalpha,6beta,8abeta))-
    • Octahydro-4,4A-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone, (4R-(4alpha,4aalpha,6beta,8abeta))-
    • 4.BETA.H,5.ALPHA.-EREMOPHIL-11-EN-2-ONE
    • 2(1H)-NAPHTHALENONE, OCTAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHENYL)-, (4R-(4.ALPHA.,4A.ALPHA.,6.BETA.,8A.BETA.))-
    • OCTAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHENYL)-2(1H)-NAPHTHALENONE, (4R-(4.ALPHA.,4A.ALPHA.,6.BETA.,8A.BETA.))-
    • DIHIDRONOOTKATONE
    • DTXCID3096951
    • SCHEMBL20608607
    • 4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
    • CHEBI:195980
    • NMALGKNZYKRHCE-CXTNEJHOSA-N
    • 4b,H,5a-Eremophil-11-en-2-one
    • NS00021833
    • Q27291370
    • (4R,4aS,6R,8aS)-4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
    • 606-567-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1256.21
    methanol 976.66
    isopropanol 1738.5
    water 1.7
    ethyl acetate 1288.1
    n-propanol 1199.52
    acetone 1463.34
    n-butanol 1024.08
    acetonitrile 1329.47
    DMF 1382.59
    toluene 1255.43
    isobutanol 861.46
    1,4-dioxane 3368.77
    methyl acetate 1180.61
    THF 3606.19
    2-butanone 1316.42
    n-pentanol 402.98
    sec-butanol 745.04
    n-hexane 29.23
    ethylene glycol 121.38
    NMP 407.42
    cyclohexane 158.33
    DMSO 614.91
    n-butyl acetate 916.88
    n-octanol 260.99
    chloroform 2872.87
    n-propyl acetate 529.68
    acetic acid 426.71
    dichloromethane 1958.7
    cyclohexanone 1409.83
    propylene glycol 251.86
    isopropyl acetate 847.98
    DMAc 692.54
    2-ethoxyethanol 589.34
    isopentanol 799.18
    n-heptane 45.16
    ethyl formate 765.23
    1,2-dichloroethane 1139.28
    n-hexanol 807.48
    2-methoxyethanol 1386.31
    isobutyl acetate 398.53
    tetrachloromethane 370.32
    n-pentyl acetate 463.69
    transcutol 2210.15
    n-heptanol 289.94
    ethylbenzene 405.92
    MIBK 600.11
    2-propoxyethanol 1205.02
    tert-butanol 1633.72
    MTBE 1135.88
    2-butoxyethanol 557.63
    propionic acid 503.51
    o-xylene 533.9
    formic acid 122.95
    diethyl ether 1072.3
    m-xylene 705.34
    p-xylene 529.5
    chlorobenzene 980.84
    dimethyl carbonate 328.95
    n-octane 23.12
    formamide 272.51
    cyclopentanone 1499.04
    2-pentanone 995.2
    anisole 779.83
    cyclopentyl methyl ether 896.21
    gamma-butyrolactone 1374.48
    1-methoxy-2-propanol 1258.0
    pyridine 1994.59
    3-pentanone 608.51
    furfural 1265.26
    n-dodecane 19.36
    diethylene glycol 666.08
    diisopropyl ether 293.24
    tert-amyl alcohol 639.25
    acetylacetone 1002.42
    n-hexadecane 23.77
    acetophenone 548.87
    methyl propionate 748.72
    isopentyl acetate 837.4
    trichloroethylene 1997.68
    n-nonanol 230.4
    cyclohexanol 737.09
    benzyl alcohol 568.25
    2-ethylhexanol 350.63
    isooctanol 235.05
    dipropyl ether 451.99
    1,2-dichlorobenzene 670.35
    ethyl lactate 229.59
    propylene carbonate 754.81
    n-methylformamide 736.58
    2-pentanol 596.03
    n-pentane 56.87
    1-propoxy-2-propanol 972.36
    1-methoxy-2-propyl acetate 927.25
    2-(2-methoxypropoxy) propanol 460.02
    mesitylene 388.34
    ε-caprolactone 1078.55
    p-cymene 254.02
    epichlorohydrin 1842.5
    1,1,1-trichloroethane 1307.1
    2-aminoethanol 384.24
    morpholine-4-carbaldehyde 1105.23
    sulfolane 725.48
    2,2,4-trimethylpentane 30.6
    2-methyltetrahydrofuran 1749.09
    n-hexyl acetate 567.51
    isooctane 40.18
    2-(2-butoxyethoxy)ethanol 757.31
    sec-butyl acetate 410.3
    tert-butyl acetate 788.83
    decalin 57.32
    glycerin 272.54
    diglyme 1371.63
    acrylic acid 339.53
    isopropyl myristate 232.85
    n-butyric acid 954.64
    acetyl acetate 682.26
    di(2-ethylhexyl) phthalate 201.14
    ethyl propionate 466.33
    nitromethane 990.79
    1,2-diethoxyethane 996.27
    benzonitrile 969.7
    trioctyl phosphate 138.86
    1-bromopropane 750.96
    gamma-valerolactone 2036.2
    n-decanol 173.0
    triethyl phosphate 188.16
    4-methyl-2-pentanol 372.84
    propionitrile 1261.5
    vinylene carbonate 847.03
    1,1,2-trichlorotrifluoroethane 682.77
    DMS 473.58
    cumene 253.82
    2-octanol 204.62
    2-hexanone 478.02
    octyl acetate 272.77
    limonene 299.66
    1,2-dimethoxyethane 1252.61
    ethyl orthosilicate 186.99
    tributyl phosphate 173.04
    diacetone alcohol 710.24
    N,N-dimethylaniline 403.83
    acrylonitrile 1299.89
    aniline 1064.87
    1,3-propanediol 800.31
    bromobenzene 1017.6
    dibromomethane 1213.26
    1,1,2,2-tetrachloroethane 1492.67
    2-methyl-cyclohexyl acetate 353.34
    tetrabutyl urea 204.51
    diisobutyl methanol 256.5
    2-phenylethanol 702.35
    styrene 490.85
    dioctyl adipate 271.37
    dimethyl sulfate 295.79
    ethyl butyrate 522.7
    methyl lactate 330.51
    butyl lactate 341.95
    diethyl carbonate 337.3
    propanediol butyl ether 486.34
    triethyl orthoformate 339.69
    p-tert-butyltoluene 271.06
    methyl 4-tert-butylbenzoate 426.84
    morpholine 3159.96
    tert-butylamine 930.68
    n-dodecanol 132.35
    dimethoxymethane 1155.84
    ethylene carbonate 761.25
    cyrene 325.38
    2-ethoxyethyl acetate 669.72
    2-ethylhexyl acetate 557.98
    1,2,4-trichlorobenzene 726.5
    4-methylpyridine 1897.78
    dibutyl ether 384.34
    2,6-dimethyl-4-heptanol 256.5
    DEF 650.39
    dimethyl isosorbide 778.89
    tetrachloroethylene 806.55
    eugenol 421.87
    triacetin 468.61
    span 80 387.77
    1,4-butanediol 184.61
    1,1-dichloroethane 1535.84
    2-methyl-1-pentanol 314.57
    methyl formate 578.02
    2-methyl-1-butanol 550.08
    n-decane 35.58
    butyronitrile 1328.79
    3,7-dimethyl-1-octanol 309.85
    1-chlorooctane 173.97
    1-chlorotetradecane 67.85
    n-nonane 32.3
    undecane 25.3
    tert-butylcyclohexane 53.48
    cyclooctane 45.44
    cyclopentanol 776.89
    tetrahydropyran 2661.4
    tert-amyl methyl ether 455.7
    2,5,8-trioxanonane 764.22
    1-hexene 180.32
    2-isopropoxyethanol 470.65
    2,2,2-trifluoroethanol 182.58
    methyl butyrate 570.91

    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