Adouetine Y

Overview IFRA Request a quote

  • Identifiers

    CAS number
    19542-38-2

    Molecular formula
    C34H40N4O4

    SMILES
    CC[C@H](C)[C@H]1C(=O)N/C=C\C2=CC=C(C=C2)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@H](CC3=CC=CC=C3)N(C)C)C4=CC=CC=C4

    Safety labels

  • Odor profile

    Fragrance
    Odorless 48.28%
    Savory 27.43%
    Cooling 27.13%
    Meaty 22.58%
    Roasted 22.56%
    Bitter 22.37%
    Cooked 22.19%
    Spicy 21.6%
    Mint 19.2%
    Popcorn 17.63%

     

    Flavor
    Bitter 82.72%
    Odorless 23.25%
    Cedarleaf 20.36%
    Nitrile 19.44%
    Lovage 18.79%
    Sweet-like 18.58%
    Bland 18.55%
    Heather 18.26%
    Butyric 18.18%
    Broom 18.01%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    13.97 (strong base)

    Molecular weight
    568.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1224°C

    Flash point

    • 266.76 ˚C est.

  • Synonyms

    • Adouetine Y
    • 19542-38-2
    • DTXSID20415137
    • (2S)-N-[(3R,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-phenylpropanamide
    • (2S)-2-(dimethylamino)-N-[(2Z,6S,9S,10R)-6-[(1S)-1-methylpropyl]-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-phenyl-propanamide
    • Adouetine Y'
    • (2S)-2-(dimethylamino)-N-((2Z,6S,9S,10R)-6-((1S)-1-methylpropyl)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo(10.2.2)hexadeca-1(14),2,12,15-tetraen-9-yl)-3-phenyl-propanamide
    • (2S)-N-((3R,4S,7S,10E)-7-((2R)-butan-2-yl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-3-phenylpropanamide
    • (2S)-N-((3R,4S,7S,10Z)-7-((2R)-Butan-2-yl)-5,8-dihydroxy-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-1(14),5,8,10,12,15-hexaen-4-yl)-2-(dimethylamino)-3-phenylpropanimidate
    • (2S)-N-((3R,4S,7S,10Z)-7-((2S)-butan-2-yl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-3-phenylpropanamide
    • (2S)-N-[(3R,4S,7S,10E)-7-[(2R)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-phenylpropanamide
    • (2S)-N-[(3R,4S,7S,10Z)-7-[(2R)-Butan-2-yl]-5,8-dihydroxy-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidate
    • RefChem:109821
    • DTXCID40365988
    • 19542-39-3
    • C09994
    • AC1NQYNV
    • CHEBI:2493
    • FA167677
    • Q27105687
    • N-[(3R,4S,7S,10Z)-7-[(2S)-Butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-Nalpha,Nalpha-dimethyl-L-phenylalaninamide
    • 19542-38-2

  • Applications

    Adouetine Y (CAS 19542-38-2) may serve as an intermediate in organic synthesis and can function as a solvent or processing aid in industrial formulations, including those used in pharmaceuticals and agrochemicals. It is sometimes evaluated as a softening agent or stabilizer in polymer and plastic formulations. In the fragrance and cosmetics arena, it may act as an odorant component, a fragrance ingredient, or a fragrance fixative. It can also be used in coatings, inks, and adhesives formulations. Additionally, it may be encountered in household cleaning and care products as a processing solvent or processing aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.96
    methanol 17.7
    isopropanol 7.23
    water 0.18
    ethyl acetate 20.23
    n-propanol 11.05
    acetone 22.29
    n-butanol 9.41
    acetonitrile 7.07
    DMF 50.79
    toluene 13.24
    isobutanol 7.64
    1,4-dioxane 19.94
    methyl acetate 22.17
    THF 59.46
    2-butanone 27.42
    n-pentanol 9.87
    sec-butanol 10.14
    n-hexane 0.69
    ethylene glycol 6.03
    NMP 98.25
    cyclohexane 0.76
    DMSO 46.21
    n-butyl acetate 9.94
    n-octanol 4.2
    chloroform 67.42
    n-propyl acetate 11.52
    acetic acid 71.51
    dichloromethane 52.27
    cyclohexanone 44.93
    propylene glycol 10.85
    isopropyl acetate 13.34
    DMAc 123.42
    2-ethoxyethanol 21.55
    isopentanol 7.68
    n-heptane 0.62
    ethyl formate 15.5
    1,2-dichloroethane 24.11
    n-hexanol 7.26
    2-methoxyethanol 28.22
    isobutyl acetate 6.89
    tetrachloromethane 9.32
    n-pentyl acetate 11.38
    transcutol 38.73
    n-heptanol 6.09
    ethylbenzene 4.96
    MIBK 10.65
    2-propoxyethanol 23.88
    tert-butanol 6.95
    MTBE 6.57
    2-butoxyethanol 18.05
    propionic acid 30.59
    o-xylene 8.21
    formic acid 33.54
    diethyl ether 7.96
    m-xylene 7.61
    p-xylene 6.02
    chlorobenzene 15.95
    dimethyl carbonate 26.2
    n-octane 0.37
    formamide 29.74
    cyclopentanone 56.55
    2-pentanone 20.06
    anisole 9.02
    cyclopentyl methyl ether 20.6
    gamma-butyrolactone 70.85
    1-methoxy-2-propanol 25.64
    pyridine 30.66
    3-pentanone 20.82
    furfural 55.71
    n-dodecane 0.28
    diethylene glycol 18.23
    diisopropyl ether 2.36
    tert-amyl alcohol 9.6
    acetylacetone 28.29
    n-hexadecane 0.31
    acetophenone 15.68
    methyl propionate 27.63
    isopentyl acetate 8.98
    trichloroethylene 68.5
    n-nonanol 4.63
    cyclohexanol 12.33
    benzyl alcohol 15.76
    2-ethylhexanol 4.7
    isooctanol 4.77
    dipropyl ether 5.53
    1,2-dichlorobenzene 14.28
    ethyl lactate 13.05
    propylene carbonate 37.15
    n-methylformamide 28.01
    2-pentanol 7.53
    n-pentane 0.7
    1-propoxy-2-propanol 16.93
    1-methoxy-2-propyl acetate 18.43
    2-(2-methoxypropoxy) propanol 16.08
    mesitylene 3.27
    ε-caprolactone 42.75
    p-cymene 2.74
    epichlorohydrin 58.07
    1,1,1-trichloroethane 24.06
    2-aminoethanol 11.0
    morpholine-4-carbaldehyde 58.66
    sulfolane 90.18
    2,2,4-trimethylpentane 0.55
    2-methyltetrahydrofuran 25.53
    n-hexyl acetate 10.66
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 18.69
    sec-butyl acetate 8.7
    tert-butyl acetate 10.16
    decalin 0.6
    glycerin 19.78
    diglyme 29.67
    acrylic acid 38.77
    isopropyl myristate 3.69
    n-butyric acid 32.32
    acetyl acetate 18.1
    di(2-ethylhexyl) phthalate 6.89
    ethyl propionate 12.41
    nitromethane 65.57
    1,2-diethoxyethane 11.01
    benzonitrile 11.47
    trioctyl phosphate 4.67
    1-bromopropane 12.03
    gamma-valerolactone 77.37
    n-decanol 3.2
    triethyl phosphate 7.17
    4-methyl-2-pentanol 4.44
    propionitrile 9.23
    vinylene carbonate 36.65
    1,1,2-trichlorotrifluoroethane 79.62
    DMS 16.44
    cumene 3.06
    2-octanol 3.92
    2-hexanone 13.56
    octyl acetate 5.96
    limonene 3.84
    1,2-dimethoxyethane 21.11
    ethyl orthosilicate 6.5
    tributyl phosphate 5.37
    diacetone alcohol 19.97
    N,N-dimethylaniline 8.15
    acrylonitrile 14.42
    aniline 18.91
    1,3-propanediol 13.73
    bromobenzene 15.12
    dibromomethane 29.94
    1,1,2,2-tetrachloroethane 53.41
    2-methyl-cyclohexyl acetate 8.83
    tetrabutyl urea 7.94
    diisobutyl methanol 2.48
    2-phenylethanol 12.29
    styrene 6.01
    dioctyl adipate 7.23
    dimethyl sulfate 48.79
    ethyl butyrate 9.21
    methyl lactate 30.21
    butyl lactate 14.41
    diethyl carbonate 6.98
    propanediol butyl ether 16.14
    triethyl orthoformate 8.13
    p-tert-butyltoluene 2.51
    methyl 4-tert-butylbenzoate 14.66
    morpholine 26.55
    tert-butylamine 3.16
    n-dodecanol 2.28
    dimethoxymethane 32.19
    ethylene carbonate 28.71
    cyrene 26.61
    2-ethoxyethyl acetate 19.69
    2-ethylhexyl acetate 7.6
    1,2,4-trichlorobenzene 21.58
    4-methylpyridine 26.91
    dibutyl ether 3.83
    2,6-dimethyl-4-heptanol 2.48
    DEF 30.66
    dimethyl isosorbide 24.23
    tetrachloroethylene 37.92
    eugenol 15.22
    triacetin 17.33
    span 80 14.61
    1,4-butanediol 8.61
    1,1-dichloroethane 24.44
    2-methyl-1-pentanol 9.02
    methyl formate 27.41
    2-methyl-1-butanol 9.3
    n-decane 0.51
    butyronitrile 7.46
    3,7-dimethyl-1-octanol 3.69
    1-chlorooctane 2.32
    1-chlorotetradecane 0.95
    n-nonane 0.43
    undecane 0.36
    tert-butylcyclohexane 0.49
    cyclooctane 0.38
    cyclopentanol 17.45
    tetrahydropyran 16.93
    tert-amyl methyl ether 8.12
    2,5,8-trioxanonane 20.79
    1-hexene 3.09
    2-isopropoxyethanol 15.41
    2,2,2-trifluoroethanol 33.44
    methyl butyrate 14.94

    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