(+)-Myrtine

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  • Identifiers

    CAS number
    66835-10-7

    Molecular formula
    C10H17NO

    SMILES
    C[C@@H]1CC(=O)C[C@@H]2N1CCCC2

    Safety labels

  • Odor profile

    Fragrance
    Nutty 57.05%
    Roasted 51.2%
    Popcorn 45.62%
    Fishy 39.96%
    Burnt 31.5%
    Musty 27.31%
    Caramellic 26.6%
    Meaty 26.49%
    Earthy 26.49%
    Sweet 26.3%

     

    Flavor
    Bitter 63.69%
    Animal 25.17%
    Alkaline 24.15%
    Spicy 23.14%
    Shrimp 22.52%
    Sweet 22.32%
    Cedarleaf 21.81%
    Cereal 21.43%
    Minty 21.27%
    Amine 21.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.62 (weak base)

    Molecular weight
    167.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    259°C

    Flash point

    • 103.94 ˚C est.

  • Synonyms

    • (4R,9aR)-Octahydro-4-methyl-2H-quinolizin-2-one
    • 66835-10-7
    • (+)-Myrtine
    • (+/-)-Myrtine
    • Myrtine, (+)-
    • Myrtine, (+/-)-
    • UE37QD8S2N
    • SCHEMBL546576
    • KZG62E68A9
    • DTXSID601242796
    • (4R,9aR)-4-Methyloctahydro-2H-quinolizin-2-one
    • 2H-Quinolizin-2-one, octahydro-4-methyl-, (4R,9aR)-
    • 2H-Quinolizin-2-one, octahydro-4-methyl-, (4R-cis)-
    • rel-(4R,9aR)-Octahydro-4-methyl-2H-quinolizin-2-one
    • 2H-Quinolizin-2-one, octahydro-4-methyl-, (4R,9aR)-rel-
    • 2H-Quinolizin-2-one, octahydro-4-methyl-, cis-(+/-)-
    • (4R,9aR)-4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
    • 66900-13-8
    • InChI=1/C10H17NO/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h8-9H,2-7H2,1H3/t8-,9-/m1/s
    • 66835-10-7

  • Applications

    (+)-Myrtine, CAS 66835-10-7, is used in real-world applications as a chiral fragrance ingredient in perfumery; as a fragrance component in cosmetics and personal care; as a fragrance additive in household products such as air fresheners and cleaners; as an intermediate for the synthesis of more complex aroma compounds in industrial manufacturing; and may be considered for use in coatings/inks as a scent ingredient or odorant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 115.3
    methanol 202.9
    isopropanol 76.77
    water 8.76
    ethyl acetate 184.48
    n-propanol 100.77
    acetone 228.29
    n-butanol 75.74
    acetonitrile 257.89
    DMF 275.31
    toluene 115.27
    isobutanol 69.17
    1,4-dioxane 342.76
    methyl acetate 205.83
    THF 288.66
    2-butanone 190.7
    n-pentanol 44.1
    sec-butanol 56.46
    n-hexane 2.51
    ethylene glycol 86.71
    NMP 379.13
    cyclohexane 10.02
    DMSO 460.24
    n-butyl acetate 119.3
    n-octanol 37.48
    chloroform 1014.92
    n-propyl acetate 72.54
    acetic acid 329.78
    dichloromethane 865.54
    cyclohexanone 326.91
    propylene glycol 66.23
    isopropyl acetate 94.82
    DMAc 232.08
    2-ethoxyethanol 101.78
    isopentanol 67.25
    n-heptane 3.87
    ethyl formate 158.31
    1,2-dichloroethane 369.33
    n-hexanol 71.02
    2-methoxyethanol 239.57
    isobutyl acetate 54.1
    tetrachloromethane 108.63
    n-pentyl acetate 69.4
    transcutol 708.98
    n-heptanol 34.65
    ethylbenzene 34.95
    MIBK 69.46
    2-propoxyethanol 173.28
    tert-butanol 75.52
    MTBE 53.66
    2-butoxyethanol 91.09
    propionic acid 206.39
    o-xylene 74.98
    formic acid 190.05
    diethyl ether 69.07
    m-xylene 81.94
    p-xylene 49.75
    chlorobenzene 232.4
    dimethyl carbonate 75.78
    n-octane 2.05
    formamide 194.32
    cyclopentanone 364.04
    2-pentanone 116.17
    anisole 88.86
    cyclopentyl methyl ether 123.42
    gamma-butyrolactone 535.67
    1-methoxy-2-propanol 146.62
    pyridine 346.71
    3-pentanone 110.44
    furfural 554.86
    n-dodecane 2.72
    diethylene glycol 196.69
    diisopropyl ether 18.98
    tert-amyl alcohol 52.5
    acetylacetone 204.78
    n-hexadecane 3.22
    acetophenone 108.47
    methyl propionate 151.53
    isopentyl acetate 100.67
    trichloroethylene 888.61
    n-nonanol 32.75
    cyclohexanol 95.2
    benzyl alcohol 98.65
    2-ethylhexanol 41.56
    isooctanol 30.93
    dipropyl ether 38.5
    1,2-dichlorobenzene 206.34
    ethyl lactate 56.49
    propylene carbonate 265.47
    n-methylformamide 235.56
    2-pentanol 40.51
    n-pentane 3.72
    1-propoxy-2-propanol 106.93
    1-methoxy-2-propyl acetate 142.08
    2-(2-methoxypropoxy) propanol 122.49
    mesitylene 49.24
    ε-caprolactone 280.44
    p-cymene 37.53
    epichlorohydrin 493.8
    1,1,1-trichloroethane 331.09
    2-aminoethanol 108.36
    morpholine-4-carbaldehyde 375.9
    sulfolane 485.49
    2,2,4-trimethylpentane 4.07
    2-methyltetrahydrofuran 219.59
    n-hexyl acetate 104.11
    isooctane 3.09
    2-(2-butoxyethoxy)ethanol 158.75
    sec-butyl acetate 52.48
    tert-butyl acetate 87.42
    decalin 6.63
    glycerin 127.18
    diglyme 293.06
    acrylic acid 237.18
    isopropyl myristate 37.55
    n-butyric acid 208.87
    acetyl acetate 169.93
    di(2-ethylhexyl) phthalate 58.8
    ethyl propionate 69.76
    nitromethane 560.12
    1,2-diethoxyethane 128.14
    benzonitrile 197.74
    trioctyl phosphate 34.56
    1-bromopropane 125.68
    gamma-valerolactone 539.51
    n-decanol 24.57
    triethyl phosphate 50.94
    4-methyl-2-pentanol 30.79
    propionitrile 152.54
    vinylene carbonate 283.72
    1,1,2-trichlorotrifluoroethane 335.69
    DMS 123.36
    cumene 29.32
    2-octanol 22.66
    2-hexanone 64.39
    octyl acetate 50.65
    limonene 46.37
    1,2-dimethoxyethane 153.4
    ethyl orthosilicate 44.41
    tributyl phosphate 51.55
    diacetone alcohol 108.88
    N,N-dimethylaniline 56.08
    acrylonitrile 252.95
    aniline 166.59
    1,3-propanediol 130.35
    bromobenzene 247.63
    dibromomethane 436.97
    1,1,2,2-tetrachloroethane 558.7
    2-methyl-cyclohexyl acetate 70.52
    tetrabutyl urea 57.24
    diisobutyl methanol 28.69
    2-phenylethanol 106.41
    styrene 45.45
    dioctyl adipate 67.08
    dimethyl sulfate 135.14
    ethyl butyrate 76.15
    methyl lactate 92.28
    butyl lactate 70.34
    diethyl carbonate 59.68
    propanediol butyl ether 98.11
    triethyl orthoformate 56.44
    p-tert-butyltoluene 33.77
    methyl 4-tert-butylbenzoate 100.64
    morpholine 312.34
    tert-butylamine 40.02
    n-dodecanol 19.06
    dimethoxymethane 151.09
    ethylene carbonate 220.6
    cyrene 115.03
    2-ethoxyethyl acetate 140.85
    2-ethylhexyl acetate 77.3
    1,2,4-trichlorobenzene 277.16
    4-methylpyridine 275.41
    dibutyl ether 39.92
    2,6-dimethyl-4-heptanol 28.69
    DEF 133.04
    dimethyl isosorbide 209.92
    tetrachloroethylene 359.07
    eugenol 100.24
    triacetin 146.84
    span 80 95.42
    1,4-butanediol 46.92
    1,1-dichloroethane 332.45
    2-methyl-1-pentanol 44.8
    methyl formate 204.35
    2-methyl-1-butanol 61.74
    n-decane 4.11
    butyronitrile 123.64
    3,7-dimethyl-1-octanol 44.34
    1-chlorooctane 26.06
    1-chlorotetradecane 10.85
    n-nonane 3.64
    undecane 3.24
    tert-butylcyclohexane 6.15
    cyclooctane 4.11
    cyclopentanol 113.01
    tetrahydropyran 202.03
    tert-amyl methyl ether 42.76
    2,5,8-trioxanonane 203.62
    1-hexene 12.41
    2-isopropoxyethanol 69.07
    2,2,2-trifluoroethanol 167.89
    methyl butyrate 86.87

    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