Moretenone

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  • Identifiers

    CAS number
    1812-63-1

    Molecular formula
    C30H48O

    SMILES
    CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.37%
    Amber 53.14%
    Dry 51.82%
    Cedar 46.44%
    Sweet 45.89%
    Sandalwood 39.42%
    Musk 38.5%
    Vetiver 35.69%
    Spicy 32.54%
    Camphoreous 32.15%

     

    Flavor
    Woody 65.94%
    Camphor 43.86%
    Sweet 40.23%
    Dry 38.07%
    Pine 37.8%
    Wood 35.67%
    Balsam 30.11%
    Fir needle 29.58%
    Fresh 28.74%
    Earthy 27.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.6

    pKa est.
    7.89 (neutral)

    Molecular weight
    424.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    508°C

    Melting point expt.

    • 202 - 204 °C

    Flash point

    • 220.92 ˚C est.

  • Synonyms

    • Moretenone
    • 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
    • 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta(a)chrysen-9-one
    • RefChem:1089845
    • 1812-63-1
    • (3R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
    • Hopenone b
    • SCHEMBL29352493
    • VEVKLOLYYQLRRV-UHFFFAOYSA-N
    • 21aH-Hop-22(29)-en-3-one
    • A'-Neogammacer-22(29)-en-3-one
    • 3-Isopropenyl-5a,5b,8,8,11a,13b-hexamethylicosahydro-9H-cyclopenta[a]chrysen-9-one #
    • 1812-63-1

  • Applications

    Moretenone (CAS 1812-63-1) is viewed primarily as a fragrance ingredient and odorant, with practical applications in perfume and flavor formulations; it may serve as a scent component in cosmetics and personal care products; it can be used as a fragrance additive in household products and cleaning solutions; it is evaluated or developed as a precursor or intermediate for the synthesis of specialty aroma-related chemicals in industrial manufacturing; and it may participate in coatings or inks as a fragrance-related additive or aroma ingredient on surface finishes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.8
    methanol 11.05
    isopropanol 31.54
    water 0.14
    ethyl acetate 47.01
    n-propanol 38.18
    acetone 42.31
    n-butanol 42.49
    acetonitrile 20.66
    DMF 88.8
    toluene 95.3
    isobutanol 32.25
    1,4-dioxane 84.0
    methyl acetate 27.66
    THF 166.53
    2-butanone 43.95
    n-pentanol 20.77
    sec-butanol 18.29
    n-hexane 2.25
    ethylene glycol 3.0
    NMP 73.99
    cyclohexane 4.56
    DMSO 21.33
    n-butyl acetate 38.66
    n-octanol 12.03
    chloroform 124.17
    n-propyl acetate 26.67
    acetic acid 22.88
    dichloromethane 67.43
    cyclohexanone 81.51
    propylene glycol 6.22
    isopropyl acetate 57.41
    DMAc 74.96
    2-ethoxyethanol 32.71
    isopentanol 40.51
    n-heptane 2.28
    ethyl formate 16.99
    1,2-dichloroethane 43.95
    n-hexanol 29.97
    2-methoxyethanol 56.23
    isobutyl acetate 30.4
    tetrachloromethane 23.91
    n-pentyl acetate 45.17
    transcutol 93.28
    n-heptanol 22.82
    ethylbenzene 24.91
    MIBK 54.53
    2-propoxyethanol 92.55
    tert-butanol 30.01
    MTBE 29.15
    2-butoxyethanol 62.03
    propionic acid 20.59
    o-xylene 39.98
    formic acid 5.86
    diethyl ether 43.71
    m-xylene 65.42
    p-xylene 28.33
    chlorobenzene 62.49
    dimethyl carbonate 35.27
    n-octane 0.75
    formamide 10.41
    cyclopentanone 100.29
    2-pentanone 54.61
    anisole 54.23
    cyclopentyl methyl ether 75.16
    gamma-butyrolactone 85.52
    1-methoxy-2-propanol 81.23
    pyridine 93.08
    3-pentanone 43.28
    furfural 84.06
    n-dodecane 0.38
    diethylene glycol 37.85
    diisopropyl ether 19.89
    tert-amyl alcohol 16.49
    acetylacetone 78.84
    n-hexadecane 0.5
    acetophenone 47.47
    methyl propionate 44.42
    isopentyl acetate 51.89
    trichloroethylene 114.09
    n-nonanol 14.29
    cyclohexanol 29.84
    benzyl alcohol 35.52
    2-ethylhexanol 18.05
    isooctanol 20.64
    dipropyl ether 31.51
    1,2-dichlorobenzene 61.25
    ethyl lactate 19.21
    propylene carbonate 49.64
    n-methylformamide 25.88
    2-pentanol 25.02
    n-pentane 3.76
    1-propoxy-2-propanol 69.71
    1-methoxy-2-propyl acetate 89.15
    2-(2-methoxypropoxy) propanol 42.12
    mesitylene 34.71
    ε-caprolactone 69.65
    p-cymene 18.2
    epichlorohydrin 95.05
    1,1,1-trichloroethane 61.07
    2-aminoethanol 11.82
    morpholine-4-carbaldehyde 105.78
    sulfolane 71.4
    2,2,4-trimethylpentane 2.14
    2-methyltetrahydrofuran 62.46
    n-hexyl acetate 41.4
    isooctane 2.38
    2-(2-butoxyethoxy)ethanol 52.44
    sec-butyl acetate 27.42
    tert-butyl acetate 68.82
    decalin 3.0
    glycerin 12.66
    diglyme 112.24
    acrylic acid 18.85
    isopropyl myristate 16.26
    n-butyric acid 47.79
    acetyl acetate 43.77
    di(2-ethylhexyl) phthalate 23.28
    ethyl propionate 33.25
    nitromethane 42.46
    1,2-diethoxyethane 39.0
    benzonitrile 42.4
    trioctyl phosphate 14.81
    1-bromopropane 29.6
    gamma-valerolactone 165.96
    n-decanol 8.52
    triethyl phosphate 21.64
    4-methyl-2-pentanol 24.35
    propionitrile 34.45
    vinylene carbonate 53.84
    1,1,2-trichlorotrifluoroethane 61.71
    DMS 40.78
    cumene 16.11
    2-octanol 11.89
    2-hexanone 28.6
    octyl acetate 17.8
    limonene 18.62
    1,2-dimethoxyethane 65.07
    ethyl orthosilicate 24.46
    tributyl phosphate 14.38
    diacetone alcohol 55.58
    N,N-dimethylaniline 37.27
    acrylonitrile 36.83
    aniline 62.33
    1,3-propanediol 29.95
    bromobenzene 72.06
    dibromomethane 45.96
    1,1,2,2-tetrachloroethane 83.43
    2-methyl-cyclohexyl acetate 37.94
    tetrabutyl urea 20.63
    diisobutyl methanol 15.93
    2-phenylethanol 50.97
    styrene 28.15
    dioctyl adipate 25.08
    dimethyl sulfate 44.92
    ethyl butyrate 35.82
    methyl lactate 27.31
    butyl lactate 37.28
    diethyl carbonate 23.56
    propanediol butyl ether 33.28
    triethyl orthoformate 36.5
    p-tert-butyltoluene 19.51
    methyl 4-tert-butylbenzoate 68.85
    morpholine 96.34
    tert-butylamine 21.36
    n-dodecanol 5.19
    dimethoxymethane 106.62
    ethylene carbonate 45.83
    cyrene 44.19
    2-ethoxyethyl acetate 65.69
    2-ethylhexyl acetate 39.25
    1,2,4-trichlorobenzene 75.16
    4-methylpyridine 96.84
    dibutyl ether 13.88
    2,6-dimethyl-4-heptanol 15.93
    DEF 50.37
    dimethyl isosorbide 87.39
    tetrachloroethylene 59.36
    eugenol 60.83
    triacetin 51.06
    span 80 34.69
    1,4-butanediol 8.81
    1,1-dichloroethane 47.78
    2-methyl-1-pentanol 18.84
    methyl formate 17.87
    2-methyl-1-butanol 29.26
    n-decane 1.12
    butyronitrile 35.3
    3,7-dimethyl-1-octanol 14.9
    1-chlorooctane 7.42
    1-chlorotetradecane 1.85
    n-nonane 0.91
    undecane 0.61
    tert-butylcyclohexane 2.83
    cyclooctane 2.16
    cyclopentanol 29.07
    tetrahydropyran 79.08
    tert-amyl methyl ether 22.66
    2,5,8-trioxanonane 61.15
    1-hexene 8.72
    2-isopropoxyethanol 28.35
    2,2,2-trifluoroethanol 14.73
    methyl butyrate 33.03

    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