4-[2-Methoxy-5-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-oxo-8-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]phenoxy]benzaldehyde

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  • Identifiers

    CAS number
    172924-26-4

    Molecular formula
    C38H40N2O8

    SMILES
    CN1CCC2=CC(=C(C(=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)C=O)OC5=CC(=CC6=C5C(=O)N(CC6)C)OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 38.85%
    Vanilla 37.65%
    Sweet 35.67%
    Spicy 31.7%
    Powdery 25.8%
    Floral 24.9%
    Phenolic 24.52%
    Balsamic 23.05%
    Animal 22.16%
    Milky 21.25%

     

    Flavor
    Bitter 93.96%
    Bland 27.52%
    Odorless 21.61%
    Parsley 20.28%
    Cedarleaf 20.24%
    Sweet-like 20.08%
    Lovage 18.99%
    Eugenol 18.04%
    Ripe apricot 18.03%
    Heather 17.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    8.99 (weak base)

    Molecular weight
    652.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1593°C

    Flash point

    • 218.37 ˚C est.

  • Synonyms

    • DTXSID601098941
    • 172924-26-4
    • 4-[2-Methoxy-5-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-oxo-8-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]phenoxy]benzaldehyde
    • 172924-26-4

  • Applications

    The chemical 4-[2-Methoxy-5-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-oxo-8-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]phenoxy]benzaldehyde (CAS 172924-26-4) may be used as an intermediate in pharmaceutical synthesis, providing a versatile building block for organic routes; it is commonly evaluated as a dye/ink precursor for coatings and polymers; the aldehyde- and heteroaromatic features also make it suitable as a reactive component in coatings and adhesives formulations or as a scaffold in polymer/plastic research; in specialized electronics or photonics applications, it may serve as a chromophore or precursor for functional materials in R&D; overall, its use is typically limited to research and development, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.68
    methanol 1.19
    isopropanol 0.69
    water 0.01
    ethyl acetate 4.95
    n-propanol 1.18
    acetone 6.57
    n-butanol 0.98
    acetonitrile 2.66
    DMF 10.17
    toluene 2.64
    isobutanol 0.9
    1,4-dioxane 5.94
    methyl acetate 6.73
    THF 8.29
    2-butanone 7.85
    n-pentanol 1.1
    sec-butanol 1.01
    n-hexane 0.06
    ethylene glycol 0.88
    NMP 21.85
    cyclohexane 0.14
    DMSO 11.36
    n-butyl acetate 2.5
    n-octanol 0.73
    chloroform 32.57
    n-propyl acetate 3.08
    acetic acid 10.52
    dichloromethane 23.77
    cyclohexanone 13.06
    propylene glycol 0.77
    isopropyl acetate 2.78
    DMAc 25.04
    2-ethoxyethanol 3.41
    isopentanol 0.91
    n-heptane 0.08
    ethyl formate 4.59
    1,2-dichloroethane 9.55
    n-hexanol 0.74
    2-methoxyethanol 3.81
    isobutyl acetate 1.9
    tetrachloromethane 3.64
    n-pentyl acetate 3.08
    transcutol 5.46
    n-heptanol 0.84
    ethylbenzene 0.89
    MIBK 2.51
    2-propoxyethanol 3.69
    tert-butanol 0.91
    MTBE 1.09
    2-butoxyethanol 3.17
    propionic acid 4.85
    o-xylene 1.51
    formic acid 4.16
    diethyl ether 1.35
    m-xylene 1.24
    p-xylene 1.32
    chlorobenzene 5.1
    dimethyl carbonate 6.9
    n-octane 0.05
    formamide 4.84
    cyclopentanone 15.22
    2-pentanone 4.83
    anisole 2.08
    cyclopentyl methyl ether 2.63
    gamma-butyrolactone 18.12
    1-methoxy-2-propanol 2.72
    pyridine 9.09
    3-pentanone 5.49
    furfural 17.69
    n-dodecane 0.05
    diethylene glycol 3.2
    diisopropyl ether 0.36
    tert-amyl alcohol 1.12
    acetylacetone 9.26
    n-hexadecane 0.06
    acetophenone 4.5
    methyl propionate 6.11
    isopentyl acetate 2.14
    trichloroethylene 36.61
    n-nonanol 0.87
    cyclohexanol 1.46
    benzyl alcohol 3.09
    2-ethylhexanol 0.71
    isooctanol 0.76
    dipropyl ether 0.99
    1,2-dichlorobenzene 5.52
    ethyl lactate 2.58
    propylene carbonate 8.5
    n-methylformamide 5.42
    2-pentanol 0.64
    n-pentane 0.07
    1-propoxy-2-propanol 2.52
    1-methoxy-2-propyl acetate 4.19
    2-(2-methoxypropoxy) propanol 3.58
    mesitylene 0.59
    ε-caprolactone 10.65
    p-cymene 0.62
    epichlorohydrin 17.27
    1,1,1-trichloroethane 10.43
    2-aminoethanol 1.14
    morpholine-4-carbaldehyde 13.88
    sulfolane 23.71
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 4.07
    n-hexyl acetate 2.43
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 3.65
    sec-butyl acetate 1.88
    tert-butyl acetate 2.34
    decalin 0.09
    glycerin 2.15
    diglyme 6.91
    acrylic acid 7.29
    isopropyl myristate 1.01
    n-butyric acid 4.75
    acetyl acetate 6.38
    di(2-ethylhexyl) phthalate 2.04
    ethyl propionate 2.96
    nitromethane 20.49
    1,2-diethoxyethane 2.46
    benzonitrile 3.84
    trioctyl phosphate 1.27
    1-bromopropane 2.99
    gamma-valerolactone 21.76
    n-decanol 0.6
    triethyl phosphate 1.98
    4-methyl-2-pentanol 0.48
    propionitrile 2.8
    vinylene carbonate 11.46
    1,1,2-trichlorotrifluoroethane 26.43
    DMS 4.48
    cumene 0.58
    2-octanol 0.6
    2-hexanone 3.63
    octyl acetate 1.48
    limonene 0.77
    1,2-dimethoxyethane 5.32
    ethyl orthosilicate 1.61
    tributyl phosphate 1.53
    diacetone alcohol 3.64
    N,N-dimethylaniline 1.52
    acrylonitrile 5.1
    aniline 3.27
    1,3-propanediol 1.6
    bromobenzene 5.48
    dibromomethane 11.24
    1,1,2,2-tetrachloroethane 23.09
    2-methyl-cyclohexyl acetate 2.36
    tetrabutyl urea 2.4
    diisobutyl methanol 0.42
    2-phenylethanol 2.43
    styrene 1.18
    dioctyl adipate 2.22
    dimethyl sulfate 13.33
    ethyl butyrate 2.36
    methyl lactate 4.11
    butyl lactate 3.03
    diethyl carbonate 2.03
    propanediol butyl ether 2.44
    triethyl orthoformate 2.06
    p-tert-butyltoluene 0.54
    methyl 4-tert-butylbenzoate 3.95
    morpholine 5.41
    tert-butylamine 0.37
    n-dodecanol 0.43
    dimethoxymethane 5.9
    ethylene carbonate 8.0
    cyrene 7.2
    2-ethoxyethyl acetate 5.71
    2-ethylhexyl acetate 1.85
    1,2,4-trichlorobenzene 8.66
    4-methylpyridine 6.76
    dibutyl ether 0.82
    2,6-dimethyl-4-heptanol 0.42
    DEF 6.73
    dimethyl isosorbide 6.42
    tetrachloroethylene 14.74
    eugenol 3.71
    triacetin 5.41
    span 80 3.01
    1,4-butanediol 1.06
    1,1-dichloroethane 7.73
    2-methyl-1-pentanol 1.19
    methyl formate 6.75
    2-methyl-1-butanol 1.04
    n-decane 0.09
    butyronitrile 2.03
    3,7-dimethyl-1-octanol 0.7
    1-chlorooctane 0.5
    1-chlorotetradecane 0.24
    n-nonane 0.07
    undecane 0.07
    tert-butylcyclohexane 0.06
    cyclooctane 0.06
    cyclopentanol 2.01
    tetrahydropyran 3.33
    tert-amyl methyl ether 1.16
    2,5,8-trioxanonane 5.23
    1-hexene 0.31
    2-isopropoxyethanol 2.69
    2,2,2-trifluoroethanol 8.1
    methyl butyrate 3.89

    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