17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C17H21NO4

    SMILES
    CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.O

  • Odor profile

    Fragrance
    Odorless 66.73%
    Savory 23.6%
    Meaty 21.98%
    Burnt 21.37%
    Spicy 20.45%
    Smoky 18.42%
    Animal 18.18%
    Phenolic 18.04%
    Roasted 17.43%
    Vanilla 15.69%

     

    Flavor
    Bitter 92.7%
    Sweet-like 21.26%
    Bland 20.15%
    Cedarleaf 19.99%
    Alkaline 18.64%
    Cereal 18.4%
    Indole 17.85%
    Very strong 17.8%
    Odorless 17.6%
    Lovage 17.57%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.43 (neutral)

    Molecular weight
    303.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    713°C

    Flash point

    • 215.57 ˚C est.

  • Synonyms

    • DTXSID50975517
    • GAA00981
    • 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)

  • Applications

    17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1) is used as an intermediate in pharmaceutical synthesis, serving as a scaffold for opioid-related morphinan derivatives; it is also evaluated as a chiral building block for complex morphinan synthetic routes in research settings; in analytical chemistry, it is commonly used as a reference material or intermediate for methods development and impurity profiling of morphinan compounds; in industrial and fine-chemical manufacturing, it may function as a precursor for specialty chemicals and advanced materials exploration; in academic research, it supports SAR studies and structure-activity relationship explorations of morphinan derivatives; and it may be considered as a precursor to epoxy-containing derivatives intended for specialty resins or coatings in materials science, subject to regulatory constraints. CAS number:

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.98
    methanol 7.95
    isopropanol 2.21
    water 0.66
    ethyl acetate 3.72
    n-propanol 2.05
    acetone 5.51
    n-butanol 2.99
    acetonitrile 2.23
    DMF 19.05
    toluene 2.52
    isobutanol 1.96
    1,4-dioxane 8.36
    methyl acetate 2.57
    THF 10.74
    2-butanone 3.37
    n-pentanol 2.02
    sec-butanol 0.82
    n-hexane 0.04
    ethylene glycol 6.87
    NMP 16.33
    cyclohexane 0.19
    DMSO 25.36
    n-butyl acetate 6.08
    n-octanol 3.82
    chloroform 8.24
    n-propyl acetate 3.97
    acetic acid 12.71
    dichloromethane 7.56
    cyclohexanone 15.31
    propylene glycol 1.86
    isopropyl acetate 4.84
    DMAc 18.75
    2-ethoxyethanol 10.64
    isopentanol 4.36
    n-heptane 0.19
    ethyl formate 6.16
    1,2-dichloroethane 5.19
    n-hexanol 4.64
    2-methoxyethanol 22.7
    isobutyl acetate 4.52
    tetrachloromethane 2.25
    n-pentyl acetate 9.58
    transcutol 28.05
    n-heptanol 6.24
    ethylbenzene 1.42
    MIBK 6.4
    2-propoxyethanol 22.1
    tert-butanol 3.14
    MTBE 0.73
    2-butoxyethanol 20.68
    propionic acid 3.49
    o-xylene 2.6
    formic acid 20.03
    diethyl ether 1.07
    m-xylene 3.55
    p-xylene 2.05
    chlorobenzene 4.38
    dimethyl carbonate 7.27
    n-octane 0.18
    formamide 23.12
    cyclopentanone 15.04
    2-pentanone 5.19
    anisole 3.33
    cyclopentyl methyl ether 4.63
    gamma-butyrolactone 17.05
    1-methoxy-2-propanol 15.84
    pyridine 8.25
    3-pentanone 3.01
    furfural 29.21
    n-dodecane 0.23
    diethylene glycol 36.08
    diisopropyl ether 0.91
    tert-amyl alcohol 1.17
    acetylacetone 12.13
    n-hexadecane 0.28
    acetophenone 8.02
    methyl propionate 4.04
    isopentyl acetate 7.86
    trichloroethylene 14.77
    n-nonanol 4.62
    cyclohexanol 3.48
    benzyl alcohol 7.61
    2-ethylhexanol 3.61
    isooctanol 5.71
    dipropyl ether 1.86
    1,2-dichlorobenzene 6.21
    ethyl lactate 7.09
    propylene carbonate 12.06
    n-methylformamide 11.75
    2-pentanol 1.47
    n-pentane 0.08
    1-propoxy-2-propanol 12.45
    1-methoxy-2-propyl acetate 12.75
    2-(2-methoxypropoxy) propanol 15.04
    mesitylene 2.53
    ε-caprolactone 12.18
    p-cymene 3.02
    epichlorohydrin 15.63
    1,1,1-trichloroethane 3.8
    2-aminoethanol 5.01
    morpholine-4-carbaldehyde 28.21
    sulfolane 28.66
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 3.15
    n-hexyl acetate 8.51
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 21.23
    sec-butyl acetate 3.11
    tert-butyl acetate 5.79
    decalin 0.21
    glycerin 14.45
    diglyme 32.65
    acrylic acid 6.72
    isopropyl myristate 4.35
    n-butyric acid 9.0
    acetyl acetate 6.87
    di(2-ethylhexyl) phthalate 8.26
    ethyl propionate 3.47
    nitromethane 17.7
    1,2-diethoxyethane 6.3
    benzonitrile 9.63
    trioctyl phosphate 6.7
    1-bromopropane 1.17
    gamma-valerolactone 34.34
    n-decanol 3.51
    triethyl phosphate 5.24
    4-methyl-2-pentanol 2.42
    propionitrile 2.5
    vinylene carbonate 16.55
    1,1,2-trichlorotrifluoroethane 29.53
    DMS 8.19
    cumene 1.56
    2-octanol 3.17
    2-hexanone 3.86
    octyl acetate 5.65
    limonene 2.86
    1,2-dimethoxyethane 13.79
    ethyl orthosilicate 4.99
    tributyl phosphate 6.08
    diacetone alcohol 11.04
    N,N-dimethylaniline 3.64
    acrylonitrile 5.65
    aniline 5.26
    1,3-propanediol 10.98
    bromobenzene 3.74
    dibromomethane 3.15
    1,1,2,2-tetrachloroethane 10.45
    2-methyl-cyclohexyl acetate 7.11
    tetrabutyl urea 9.22
    diisobutyl methanol 2.88
    2-phenylethanol 11.66
    styrene 1.34
    dioctyl adipate 7.1
    dimethyl sulfate 15.17
    ethyl butyrate 4.9
    methyl lactate 10.81
    butyl lactate 12.53
    diethyl carbonate 4.26
    propanediol butyl ether 14.49
    triethyl orthoformate 5.56
    p-tert-butyltoluene 2.72
    methyl 4-tert-butylbenzoate 14.88
    morpholine 7.84
    tert-butylamine 1.11
    n-dodecanol 2.61
    dimethoxymethane 16.13
    ethylene carbonate 13.36
    cyrene 20.37
    2-ethoxyethyl acetate 13.74
    2-ethylhexyl acetate 5.74
    1,2,4-trichlorobenzene 8.03
    4-methylpyridine 7.88
    dibutyl ether 2.12
    2,6-dimethyl-4-heptanol 2.88
    DEF 7.5
    dimethyl isosorbide 24.84
    tetrachloroethylene 11.02
    eugenol 17.75
    triacetin 11.6
    span 80 13.01
    1,4-butanediol 4.34
    1,1-dichloroethane 2.55
    2-methyl-1-pentanol 2.58
    methyl formate 12.44
    2-methyl-1-butanol 2.13
    n-decane 0.33
    butyronitrile 2.89
    3,7-dimethyl-1-octanol 4.05
    1-chlorooctane 1.48
    1-chlorotetradecane 0.86
    n-nonane 0.22
    undecane 0.28
    tert-butylcyclohexane 0.16
    cyclooctane 0.14
    cyclopentanol 2.94
    tetrahydropyran 3.03
    tert-amyl methyl ether 0.81
    2,5,8-trioxanonane 25.19
    1-hexene 0.19
    2-isopropoxyethanol 7.49
    2,2,2-trifluoroethanol 11.58
    methyl butyrate 5.16

    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