(+)-Isodomesticine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    70560-83-7

    Molecular formula
    C19H19NO4

    SMILES
    CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC5=C(C=C43)OCO5)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 42.79%
    Phenolic 33.68%
    Spicy 29.69%
    Vanilla 26.12%
    Animal 25.28%
    Smoky 24.08%
    Sweet 22.45%
    Burnt 21.37%
    Powdery 20.81%
    Musk 19.51%

     

    Flavor
    Bitter 96.22%
    Bland 23.22%
    Sweet-like 19.96%
    Cedarleaf 19.42%
    Parsley 18.28%
    Very strong 17.86%
    Indole 17.77%
    Cereal 17.74%
    Lovage 17.26%
    Eugenol 17.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.09 (neutral)

    Molecular weight
    325.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    755°C

    Flash point

    • 227.89 ˚C est.

  • Synonyms

    • 70560-83-7
    • (+)-ISODOMESTICINE
    • (+)-1-Methoxy-2-hydroxy-9,10-methylenedioxyaporphine
    • GQ2Y6D6K6L
    • ISODOMESTICINE, (+)-
    • SCHEMBL14367903
    • SCHEMBL31029794
    • DTXSID701118695
    • 9,10-METHYLENEDIOXY-2-HYDROXY-1-METHOXYNORAPORPHINE
    • 1-METHOXY-2-HYDROXY-9,10-METHYLENEDIOXY-NORAPORPHINE
    • 2-HYDROXY-1-METHOXY-9,10-METHYLENEDIOXY-NORAPORPHINE
    • (6aS)-1-Methoxy-6-methyl-5,6,6a,7-tetrahydro-4H,10H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-2-ol
    • (6aS)-5,6,6a,7-Tetrahydro-1-methoxy-6-methyl-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-2-ol
    • 4H-BENZO(DE)(1,3)BENZODIOXOLO(5,6-G)QUINOLIN-2-OL, 5,6,6A,7-TETRAHYDRO-1-METHOXY-6-METHYL-, (6AS)-
    • 4H-BENZO(DE)(1,3)BENZODIOXOLO(5,6-G)QUINOLIN-2-OL, 5,6,6A,7-TETRAHYDRO-1-METHOXY-6-METHYL-, (S)-
    • 70560-83-7

  • Applications

    (+)-Isodomesticine (CAS 70560-83-7) is primarily used as a fragrance-related compound, serving as an odorant or fragrance ingredient in perfumery and cosmetics; it may also be employed in household products such as air fresheners and detergents to impart or enhance scent; it is often evaluated as a chiral building block or intermediate in organic synthesis for specialty chemicals; in industrial formulations it can function as a scent component and may be considered for coatings or inks where controlled odor delivery is desired; its use is subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.43
    methanol 5.26
    isopropanol 2.6
    water 0.14
    ethyl acetate 8.26
    n-propanol 3.06
    acetone 8.22
    n-butanol 3.67
    acetonitrile 4.93
    DMF 25.95
    toluene 1.4
    isobutanol 2.78
    1,4-dioxane 9.07
    methyl acetate 7.27
    THF 10.6
    2-butanone 7.16
    n-pentanol 2.72
    sec-butanol 1.44
    n-hexane 0.04
    ethylene glycol 5.45
    NMP 17.5
    cyclohexane 0.16
    DMSO 28.61
    n-butyl acetate 11.75
    n-octanol 2.71
    chloroform 26.49
    n-propyl acetate 10.23
    acetic acid 26.93
    dichloromethane 21.9
    cyclohexanone 16.64
    propylene glycol 1.59
    isopropyl acetate 7.47
    DMAc 34.33
    2-ethoxyethanol 16.04
    isopentanol 5.33
    n-heptane 0.12
    ethyl formate 11.98
    1,2-dichloroethane 12.52
    n-hexanol 4.56
    2-methoxyethanol 24.65
    isobutyl acetate 8.5
    tetrachloromethane 4.46
    n-pentyl acetate 11.47
    transcutol 34.92
    n-heptanol 4.89
    ethylbenzene 1.06
    MIBK 7.19
    2-propoxyethanol 26.06
    tert-butanol 3.58
    MTBE 1.39
    2-butoxyethanol 21.34
    propionic acid 7.82
    o-xylene 1.59
    formic acid 22.46
    diethyl ether 1.99
    m-xylene 1.62
    p-xylene 1.74
    chlorobenzene 4.63
    dimethyl carbonate 13.17
    n-octane 0.11
    formamide 28.33
    cyclopentanone 14.45
    2-pentanone 6.93
    anisole 3.78
    cyclopentyl methyl ether 3.52
    gamma-butyrolactone 21.47
    1-methoxy-2-propanol 14.13
    pyridine 9.91
    3-pentanone 5.05
    furfural 34.02
    n-dodecane 0.14
    diethylene glycol 36.02
    diisopropyl ether 0.92
    tert-amyl alcohol 2.29
    acetylacetone 13.53
    n-hexadecane 0.17
    acetophenone 9.96
    methyl propionate 8.2
    isopentyl acetate 12.22
    trichloroethylene 31.43
    n-nonanol 3.39
    cyclohexanol 3.37
    benzyl alcohol 8.05
    2-ethylhexanol 3.77
    isooctanol 4.85
    dipropyl ether 2.52
    1,2-dichlorobenzene 7.67
    ethyl lactate 11.0
    propylene carbonate 18.32
    n-methylformamide 16.32
    2-pentanol 1.66
    n-pentane 0.06
    1-propoxy-2-propanol 14.27
    1-methoxy-2-propyl acetate 19.52
    2-(2-methoxypropoxy) propanol 17.57
    mesitylene 1.24
    ε-caprolactone 17.77
    p-cymene 2.47
    epichlorohydrin 22.53
    1,1,1-trichloroethane 9.51
    2-aminoethanol 4.82
    morpholine-4-carbaldehyde 35.58
    sulfolane 29.4
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 3.84
    n-hexyl acetate 8.7
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 21.08
    sec-butyl acetate 6.35
    tert-butyl acetate 7.73
    decalin 0.17
    glycerin 11.61
    diglyme 39.31
    acrylic acid 12.8
    isopropyl myristate 4.44
    n-butyric acid 14.69
    acetyl acetate 11.23
    di(2-ethylhexyl) phthalate 8.66
    ethyl propionate 7.64
    nitromethane 38.7
    1,2-diethoxyethane 9.39
    benzonitrile 10.7
    trioctyl phosphate 6.2
    1-bromopropane 2.92
    gamma-valerolactone 38.42
    n-decanol 2.53
    triethyl phosphate 9.54
    4-methyl-2-pentanol 2.41
    propionitrile 5.58
    vinylene carbonate 24.96
    1,1,2-trichlorotrifluoroethane 48.86
    DMS 13.5
    cumene 1.27
    2-octanol 2.34
    2-hexanone 6.8
    octyl acetate 5.82
    limonene 2.38
    1,2-dimethoxyethane 21.24
    ethyl orthosilicate 8.12
    tributyl phosphate 6.83
    diacetone alcohol 13.5
    N,N-dimethylaniline 3.79
    acrylonitrile 11.03
    aniline 4.52
    1,3-propanediol 11.08
    bromobenzene 3.92
    dibromomethane 9.91
    1,1,2,2-tetrachloroethane 21.82
    2-methyl-cyclohexyl acetate 10.76
    tetrabutyl urea 9.01
    diisobutyl methanol 2.57
    2-phenylethanol 11.95
    styrene 1.24
    dioctyl adipate 8.21
    dimethyl sulfate 22.22
    ethyl butyrate 9.46
    methyl lactate 12.91
    butyl lactate 13.5
    diethyl carbonate 10.18
    propanediol butyl ether 11.66
    triethyl orthoformate 9.37
    p-tert-butyltoluene 2.06
    methyl 4-tert-butylbenzoate 15.53
    morpholine 10.48
    tert-butylamine 1.33
    n-dodecanol 1.91
    dimethoxymethane 18.67
    ethylene carbonate 21.9
    cyrene 21.23
    2-ethoxyethyl acetate 20.63
    2-ethylhexyl acetate 9.7
    1,2,4-trichlorobenzene 9.94
    4-methylpyridine 7.96
    dibutyl ether 2.43
    2,6-dimethyl-4-heptanol 2.57
    DEF 12.15
    dimethyl isosorbide 27.11
    tetrachloroethylene 19.31
    eugenol 18.18
    triacetin 15.21
    span 80 11.76
    1,4-butanediol 4.66
    1,1-dichloroethane 6.81
    2-methyl-1-pentanol 3.6
    methyl formate 15.63
    2-methyl-1-butanol 3.16
    n-decane 0.21
    butyronitrile 5.52
    3,7-dimethyl-1-octanol 3.42
    1-chlorooctane 1.24
    1-chlorotetradecane 0.65
    n-nonane 0.15
    undecane 0.17
    tert-butylcyclohexane 0.13
    cyclooctane 0.08
    cyclopentanol 2.89
    tetrahydropyran 4.04
    tert-amyl methyl ether 1.45
    2,5,8-trioxanonane 29.29
    1-hexene 0.28
    2-isopropoxyethanol 11.06
    2,2,2-trifluoroethanol 23.05
    methyl butyrate 11.15

    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