4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    60026-22-4

    Molecular formula
    C15H22O

    SMILES
    CC1=C2CC(CCC2(CCC1=O)C)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 76.65%
    Sweet 49.56%
    Fruity 46.26%
    Tobacco 45.22%
    Orris 43.36%
    Dry 42.81%
    Floral 37.96%
    Powdery 37.16%
    Amber 35.15%
    Musk 34.88%

     

    Flavor
    Woody 45.46%
    Herbal 43.62%
    Minty 40.28%
    Camphor 31.53%
    Fresh 30.28%
    Spicy 30.23%
    Spice 28.18%
    Mint 24.56%
    Basil 23.03%
    Wood 22.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.06 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 116.57 ˚C est.

  • Synonyms

    • DTXSID901141898
    • 60026-22-4
    • 4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone
    • RefChem:1069351
    • DTXCID00220362
    • (+)-4,11-Eudesmadien-3-one
    • 1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
    • [4aR,(-)]-4,4a,5,6,7,8-Hexahydro-1,4aalpha-dimethyl-7beta-(1-methylethenyl)naphthalene-2(3H)-one
    • 132983-05-2
    • 2303-31-3
    • NSC118866
    • (-) Epi-.alpha.-Cyperone
    • epi-.alpha.-Cyperone, (-)-
    • SCHEMBL12917916
    • CHEBI:190005
    • KUFXJZXMWHNCEH-UHFFFAOYSA-N
    • 7-Isopropenyl-1,4a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
    • NSC-118866
    • 1,4a-dimethyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
    • DB-050343
    • NS00066977
    • 7-isopropenyl-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
    • 1,4a-Dimethyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
    • 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(prop-1-en-2-yl)naphthalen-2(3H)-one
    • 7-Isopropenyl-1,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone #
    • 2303-31-3

  • Applications

    Chemical name: 4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone, CAS number: 60026-22-4. It is commonly used as a fragrance ingredient and synthesis intermediate in perfumery, contributing woody notes and may serve as a fragrance fixative in some formulations. It is often evaluated for use in cosmetics and personal care products as a fragrance component. In household products such as air fresheners and cleaners, it may function as an odorant or scent modifier. In industrial manufacturing, it can be used as a fragrance intermediate or specialty aroma chemical for additives in polymers, coatings, and inks to impart or stabilize aroma. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 441.43
    methanol 421.38
    isopropanol 424.67
    water 0.35
    ethyl acetate 685.59
    n-propanol 467.66
    acetone 450.15
    n-butanol 421.0
    acetonitrile 471.63
    DMF 740.78
    toluene 1066.23
    isobutanol 279.26
    1,4-dioxane 1776.16
    methyl acetate 540.92
    THF 1504.06
    2-butanone 585.16
    n-pentanol 161.1
    sec-butanol 249.41
    n-hexane 11.36
    ethylene glycol 29.63
    NMP 331.94
    cyclohexane 58.26
    DMSO 241.02
    n-butyl acetate 586.8
    n-octanol 75.3
    chloroform 2001.41
    n-propyl acetate 320.54
    acetic acid 184.6
    dichloromethane 1468.56
    cyclohexanone 779.17
    propylene glycol 57.23
    isopropyl acetate 444.2
    DMAc 500.66
    2-ethoxyethanol 260.55
    isopentanol 344.63
    n-heptane 10.85
    ethyl formate 354.74
    1,2-dichloroethane 832.53
    n-hexanol 299.79
    2-methoxyethanol 580.46
    isobutyl acetate 223.82
    tetrachloromethane 221.06
    n-pentyl acetate 245.02
    transcutol 1805.72
    n-heptanol 107.46
    ethylbenzene 282.31
    MIBK 304.95
    2-propoxyethanol 587.06
    tert-butanol 449.18
    MTBE 456.66
    2-butoxyethanol 268.32
    propionic acid 196.23
    o-xylene 385.56
    formic acid 67.19
    diethyl ether 565.26
    m-xylene 496.79
    p-xylene 358.54
    chlorobenzene 791.98
    dimethyl carbonate 202.36
    n-octane 4.21
    formamide 165.64
    cyclopentanone 728.41
    2-pentanone 474.13
    anisole 589.54
    cyclopentyl methyl ether 458.86
    gamma-butyrolactone 718.74
    1-methoxy-2-propanol 478.04
    pyridine 1500.74
    3-pentanone 333.37
    furfural 776.16
    n-dodecane 3.67
    diethylene glycol 276.95
    diisopropyl ether 136.36
    tert-amyl alcohol 240.38
    acetylacetone 510.4
    n-hexadecane 4.67
    acetophenone 405.68
    methyl propionate 416.64
    isopentyl acetate 543.99
    trichloroethylene 1712.0
    n-nonanol 73.07
    cyclohexanol 298.45
    benzyl alcohol 360.33
    2-ethylhexanol 155.69
    isooctanol 93.7
    dipropyl ether 205.3
    1,2-dichlorobenzene 585.44
    ethyl lactate 112.86
    propylene carbonate 407.93
    n-methylformamide 357.47
    2-pentanol 206.73
    n-pentane 18.85
    1-propoxy-2-propanol 409.38
    1-methoxy-2-propyl acetate 611.56
    2-(2-methoxypropoxy) propanol 290.31
    mesitylene 242.7
    ε-caprolactone 666.4
    p-cymene 141.15
    epichlorohydrin 1132.89
    1,1,1-trichloroethane 740.96
    2-aminoethanol 118.95
    morpholine-4-carbaldehyde 793.13
    sulfolane 390.75
    2,2,4-trimethylpentane 13.23
    2-methyltetrahydrofuran 771.69
    n-hexyl acetate 286.07
    isooctane 15.81
    2-(2-butoxyethoxy)ethanol 414.85
    sec-butyl acetate 254.17
    tert-butyl acetate 421.87
    decalin 26.29
    glycerin 81.32
    diglyme 907.59
    acrylic acid 146.22
    isopropyl myristate 104.51
    n-butyric acid 426.07
    acetyl acetate 363.96
    di(2-ethylhexyl) phthalate 127.99
    ethyl propionate 268.48
    nitromethane 433.49
    1,2-diethoxyethane 652.42
    benzonitrile 653.49
    trioctyl phosphate 68.2
    1-bromopropane 415.9
    gamma-valerolactone 1111.1
    n-decanol 50.52
    triethyl phosphate 130.63
    4-methyl-2-pentanol 148.23
    propionitrile 528.75
    vinylene carbonate 483.46
    1,1,2-trichlorotrifluoroethane 409.14
    DMS 324.93
    cumene 157.69
    2-octanol 59.92
    2-hexanone 268.19
    octyl acetate 121.7
    limonene 146.55
    1,2-dimethoxyethane 702.09
    ethyl orthosilicate 135.29
    tributyl phosphate 94.56
    diacetone alcohol 347.39
    N,N-dimethylaniline 301.54
    acrylonitrile 631.55
    aniline 792.71
    1,3-propanediol 262.3
    bromobenzene 823.93
    dibromomethane 836.43
    1,1,2,2-tetrachloroethane 1162.84
    2-methyl-cyclohexyl acetate 239.1
    tetrabutyl urea 111.29
    diisobutyl methanol 103.36
    2-phenylethanol 449.72
    styrene 376.78
    dioctyl adipate 158.95
    dimethyl sulfate 184.39
    ethyl butyrate 330.71
    methyl lactate 148.1
    butyl lactate 180.8
    diethyl carbonate 233.21
    propanediol butyl ether 193.56
    triethyl orthoformate 230.67
    p-tert-butyltoluene 146.07
    methyl 4-tert-butylbenzoate 287.78
    morpholine 1769.04
    tert-butylamine 287.82
    n-dodecanol 36.25
    dimethoxymethane 599.56
    ethylene carbonate 415.74
    cyrene 210.63
    2-ethoxyethyl acetate 448.81
    2-ethylhexyl acetate 391.34
    1,2,4-trichlorobenzene 630.15
    4-methylpyridine 1497.74
    dibutyl ether 137.0
    2,6-dimethyl-4-heptanol 103.36
    DEF 438.4
    dimethyl isosorbide 551.01
    tetrachloroethylene 712.28
    eugenol 277.12
    triacetin 285.94
    span 80 205.49
    1,4-butanediol 57.04
    1,1-dichloroethane 827.85
    2-methyl-1-pentanol 160.33
    methyl formate 234.67
    2-methyl-1-butanol 238.25
    n-decane 6.78
    butyronitrile 563.89
    3,7-dimethyl-1-octanol 112.49
    1-chlorooctane 53.34
    1-chlorotetradecane 18.9
    n-nonane 5.72
    undecane 4.83
    tert-butylcyclohexane 24.68
    cyclooctane 15.95
    cyclopentanol 236.34
    tetrahydropyran 1349.48
    tert-amyl methyl ether 229.79
    2,5,8-trioxanonane 552.25
    1-hexene 78.77
    2-isopropoxyethanol 188.42
    2,2,2-trifluoroethanol 69.38
    methyl butyrate 340.73

    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