Isocyclemone E

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  • Identifiers

    CAS number
    54464-57-2

    Molecular formula
    C16H26O

    SMILES
    CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 88.23%
    Amber 57.76%
    Dry 50.3%
    Musk 48.99%
    Orris 48.62%
    Cedar 46.49%
    Floral 45.07%
    Vetiver 42.99%
    Powdery 42.92%
    Tobacco 38.74%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    234.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point est.
    116.62 ˚C

  • Synonyms

    • 54464-57-2
    • 1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone
    • Boisvelone
    • Isocyclemone E
    • Iso E Super
    • Iso-E super
    • 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone
    • Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-
    • EINECS 259-174-3
    • 1GD7ODM28Y
    • 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one
    • DTXSID7031290
    • 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone
    • 1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethan-1-one
    • 1',2',3',4',5',6',7',8'-Octahydro-2',3',8',8'-tetramethyl-2'-acetonaphthone
    • DTXCID5011290
    • ISO E SUPER RACEMATE [MI]
    • 2-Acetonaphthone, 1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-
    • Iso E Super (Mixture of Isomers)
    • 1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-acetonaphthone
    • 7-acetyl-1,2,3,4,5,6,7,8-octahydro-1,1,6,7-tetramethylnaphthalene
    • 2,3,8,8-TETRAMETHYL-2-ACETYL-1,2,3,4,5,6,7,8-OCTAHYDRONAPHTHALENES
    • CAS-54464-57-2
    • UNII-1GD7ODM28Y
    • i-e-super
    • OHTMNE cpd
    • MFCD00217013
    • Iso E Super (Mixture of Isomers, >80%)
    • ISO E SUPER RACEMATE
    • SCHEMBL111407
    • CHEMBL1423553
    • Tox21_201355
    • Tox21_303483
    • BBL028399
    • STL352821
    • AKOS015955684
    • Isocyclemone E (isomers sum min. 90%)
    • NCGC00090712-01
    • NCGC00090712-02
    • NCGC00257507-01
    • NCGC00258907-01
    • VS-08753
    • CS-0213218
    • NS00011472
    • EN300-7430612
    • Q15720552
    • 7-acetyl-1,2,3,4,5,6,7,8-octahydro-1,1,6,7-tetramethyl-naphthalene
    • (1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethylnaphthalen-2yl)ethan-1-one
    • 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone (Sum of isomers)
    • Sylvamber
    • Timbersilk

  • Applications

    Methyl cyclomyrcetone (CAS 54464-57-2) is a fresh fruity-woody aroma ingredient widely employed to boost richness and longevity in citrus, herbal and woody accords of fine fragrances, cosmetics, soaps, household detergents, personal-care items, air-care products and scented candles, as well as in technical odor-masking compositions for solvents or surfactants; thanks to its high pH stability and good heat resistance, the molecule is suitable for heat-processed laundry powders and fabric softeners, helping extend scent persistence while imparting a clean, refreshing impression to the end user.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 168.6
    methanol 155.47
    isopropanol 189.94
    water 0.62
    ethyl acetate 430.73
    n-propanol 200.44
    acetone 471.42
    n-butanol 187.17
    acetonitrile 494.12
    DMF 747.88
    toluene 846.46
    isobutanol 168.53
    1,4-dioxane 1127.84
    methyl acetate 494.94
    THF 1400.01
    2-butanone 558.22
    n-pentanol 114.05
    sec-butanol 156.52
    n-hexane 26.33
    ethylene glycol 21.8
    NMP 656.86
    cyclohexane 109.21
    DMSO 234.66
    n-butyl acetate 450.31
    n-octanol 125.94
    chloroform 1779.49
    n-propyl acetate 284.98
    acetic acid 154.5
    dichloromethane 1421.23
    cyclohexanone 998.16
    propylene glycol 44.22
    isopropyl acetate 325.47
    DMAc 562.35
    2-ethoxyethanol 152.33
    isopentanol 176.8
    n-heptane 34.31
    ethyl formate 275.04
    1,2-dichloroethane 700.17
    n-hexanol 231.8
    2-methoxyethanol 260.17
    isobutyl acetate 240.29
    tetrachloromethane 274.12
    n-pentyl acetate 297.67
    transcutol 720.69
    n-heptanol 143.75
    ethylbenzene 341.0
    MIBK 270.02
    2-propoxyethanol 365.66
    tert-butanol 224.9
    MTBE 281.25
    2-butoxyethanol 233.38
    propionic acid 188.6
    o-xylene 440.66
    formic acid 40.67
    diethyl ether 288.07
    m-xylene 505.3
    p-xylene 510.73
    chlorobenzene 823.2
    dimethyl carbonate 192.0
    n-octane 16.44
    formamide 100.0
    cyclopentanone 1141.27
    2-pentanone 385.5
    anisole 537.5
    cyclopentyl methyl ether 490.13
    gamma-butyrolactone 999.12
    1-methoxy-2-propanol 261.75
    pyridine 1255.51
    3-pentanone 335.75
    furfural 886.07
    n-dodecane 13.36
    diethylene glycol 175.23
    diisopropyl ether 116.91
    tert-amyl alcohol 169.27
    acetylacetone 492.96
    n-hexadecane 16.92
    acetophenone 470.07
    methyl propionate 348.31
    isopentyl acetate 429.29
    trichloroethylene 1619.64
    n-nonanol 120.58
    cyclohexanol 267.91
    benzyl alcohol 335.76
    2-ethylhexanol 176.13
    isooctanol 126.65
    dipropyl ether 212.6
    1,2-dichlorobenzene 683.53
    ethyl lactate 123.5
    propylene carbonate 554.46
    n-methylformamide 263.72
    2-pentanol 124.24
    n-pentane 30.64
    1-propoxy-2-propanol 309.56
    1-methoxy-2-propyl acetate 438.2
    2-(2-methoxypropoxy) propanol 258.38
    mesitylene 294.0
    ε-caprolactone 746.87
    p-cymene 224.27
    epichlorohydrin 1006.71
    1,1,1-trichloroethane 879.67
    2-aminoethanol 68.79
    morpholine-4-carbaldehyde 831.5
    sulfolane 719.67
    2,2,4-trimethylpentane 24.09
    2-methyltetrahydrofuran 782.14
    n-hexyl acetate 374.01
    isooctane 21.84
    2-(2-butoxyethoxy)ethanol 297.49
    sec-butyl acetate 233.21
    tert-butyl acetate 347.45
    decalin 58.05
    glycerin 58.54
    diglyme 621.24
    acrylic acid 168.59
    isopropyl myristate 161.3
    n-butyric acid 296.98
    acetyl acetate 340.16
    di(2-ethylhexyl) phthalate 171.18
    ethyl propionate 256.55
    nitromethane 450.76
    1,2-diethoxyethane 371.17
    benzonitrile 671.18
    trioctyl phosphate 108.6
    1-bromopropane 398.77
    gamma-valerolactone 1258.69
    n-decanol 88.18
    triethyl phosphate 163.96
    4-methyl-2-pentanol 98.74
    propionitrile 448.27
    vinylene carbonate 608.2
    1,1,2-trichlorotrifluoroethane 449.76
    DMS 380.53
    cumene 213.73
    2-octanol 104.53
    2-hexanone 297.17
    octyl acetate 190.15
    limonene 245.02
    1,2-dimethoxyethane 441.16
    ethyl orthosilicate 153.5
    tributyl phosphate 130.75
    diacetone alcohol 284.92
    N,N-dimethylaniline 340.78
    acrylonitrile 533.83
    aniline 571.9
    1,3-propanediol 113.84
    bromobenzene 968.61
    dibromomethane 819.67
    1,1,2,2-tetrachloroethane 1080.42
    2-methyl-cyclohexyl acetate 310.16
    tetrabutyl urea 166.68
    diisobutyl methanol 117.18
    2-phenylethanol 426.93
    styrene 414.39
    dioctyl adipate 218.16
    dimethyl sulfate 243.24
    ethyl butyrate 320.57
    methyl lactate 143.07
    butyl lactate 215.19
    diethyl carbonate 231.32
    propanediol butyl ether 196.3
    triethyl orthoformate 231.67
    p-tert-butyltoluene 225.41
    methyl 4-tert-butylbenzoate 357.24
    morpholine 967.3
    tert-butylamine 171.47
    n-dodecanol 66.91
    dimethoxymethane 430.79
    ethylene carbonate 482.96
    cyrene 278.8
    2-ethoxyethyl acetate 393.42
    2-ethylhexyl acetate 355.35
    1,2,4-trichlorobenzene 767.15
    4-methylpyridine 1249.0
    dibutyl ether 176.98
    2,6-dimethyl-4-heptanol 117.18
    DEF 394.04
    dimethyl isosorbide 577.52
    tetrachloroethylene 677.16
    eugenol 325.97
    triacetin 378.81
    span 80 240.26
    1,4-butanediol 42.54
    1,1-dichloroethane 784.84
    2-methyl-1-pentanol 127.3
    methyl formate 240.32
    2-methyl-1-butanol 157.8
    n-decane 24.32
    butyronitrile 433.5
    3,7-dimethyl-1-octanol 148.12
    1-chlorooctane 118.25
    1-chlorotetradecane 47.87
    n-nonane 21.64
    undecane 17.54
    tert-butylcyclohexane 48.83
    cyclooctane 35.86
    cyclopentanol 269.89
    tetrahydropyran 966.59
    tert-amyl methyl ether 189.23
    2,5,8-trioxanonane 391.14
    1-hexene 109.78
    2-isopropoxyethanol 144.03
    2,2,2-trifluoroethanol 86.98
    methyl butyrate 331.61

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.41 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.67 %
Category 2
Products applied to the axillae
 1.1 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.67 %
Category 3
Products applied to the face/body using fingertips
 0.41 % Category 8
Products with significant anogenital exposure
 0.19 %
Category 4
Products related to fine fragrance
 20 % Category 9
Products with body and hand exposure, primarily rinse off
 2.4 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 5.1 % Category 10A
Household care products with mostly hand contact
 2.4 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.56 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 6.6 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.76 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.19 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.19 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.19 %
Category 6
Products with oral and lip exposure
 0.0093 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction