Etamiphyllin

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  • Identifiers

    CAS number
    314-35-2

    Molecular formula
    C13H21N5O2

    SMILES
    CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.17%
    Fishy 35.03%
    Cheesy 24.37%
    Savory 22.79%
    Animal 21.52%
    Meaty 20.67%
    Cooling 20.66%
    Ripe 20.28%
    Burnt 19.75%
    Bitter 19.4%

     

    Flavor
    Bitter 79.98%
    Odorless 34.95%
    Bland 26.69%
    Cedarleaf 20.62%
    Nitrile 19.64%
    Sweet-like 19.58%
    Mild 18.99%
    Carrot 18.74%
    Green pepper 18.73%
    Lovage 18.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    7.34 (neutral)

    Molecular weight
    279.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    415°C

    Melting point expt.

    • 75 °C

    Flash point

    • 240.01 ˚C est.

  • Synonyms

    • Etamiphylline
    • Etamiphyllin
    • Camphophyline
    • Millophylline
    • 314-35-2
    • Etamifilina
    • Etamifillina
    • Etamiphyllinum
    • NSC-38348
    • 221A91BQ2S
    • 7-(beta-Diethylaminoethyl)theophylline
    • 7-[2-(diethylamino)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • ethamicyclin
    • etamiphyllin monohydrochloride
    • 7-(2-(diethylamino)ethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • RefChem:591348
    • R03DA06
    • 206-244-6
    • Etaminophylline
    • Milliphylline
    • Parephyllin
    • Soluphyline
    • Corafil
    • Queryl
    • Solufilina
    • Diethylaminoethyltheophylline
    • Millophyline
    • Milheparin
    • Diaethylaminoaethyl-theophyllin
    • 7-(Diethylaminoethyl)theophylline
    • 7-(2-Diethylaminoethyl)theophylline
    • Etamiphyllin heparinate
    • Dietamiphylline
    • 7-(2-(Diethylamino)ethyl)theophylline
    • R-3588
    • NSC 38348
    • 1,3-Dimethyl-7-(2-(diethylamino)ethyl)xanthine
    • 7-(2-(Diethylamino)ethyl)-1,3-dimethylxanthine
    • Diethylaminoethyltheophylline heparinate
    • 7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione
    • Etamiphylline (INN)
    • 1H-Purine-2,6-dione, 7-(2-(diethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-
    • 1H-Purine-2,6-dione, 7-[2-(diethylamino)ethyl]-3,7-dihydro-1,3-dimethyl-
    • ETAMIPHYLLINE [INN]
    • 7-[2-(Diethylamino)ethyl]-1,3-dimethylxanthine
    • 59547-58-9
    • Etamiphyllin [INN]
    • Etamifillina [DCIT]
    • 7-[2-(Diethylamino)ethyl]theophylline
    • Etamifilina [INN-Spanish]
    • Etamiphylline [INN-French]
    • Etamiphyllinum [INN-Latin]
    • Diethylaminoethyl theophylline
    • Theophylline, 7-(2-(diethylamino)ethyl)-
    • Theophylline, 7-[2-(diethylamino)ethyl]-
    • 1,3-Dimethyl-7-[2-(diethylamino)ethyl]xanthine
    • EINECS 206-244-6
    • BRN 0291098
    • Diaethylaminoaethyl-theophyllin [German]
    • UNII-221A91BQ2S
    • 7-(2-(diethylamino)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
    • 7-[2-(Diethylamino)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
    • Theophylline, 7-(2-diethylamino)ethyl-
    • ETAMIPHYLLIN [MI]
    • 4-26-00-02409 (Beilstein Handbook Reference)
    • ETAMIPHYLLIN [WHO-DD]
    • SCHEMBL355304
    • F3229-0069
    • orb3028277
    • CHEMBL2104264
    • BDBM82014
    • DTXSID10861866
    • CHEBI:135157
    • AAA31435
    • NSC38348
    • 7-[(Diethylamino)ethyl]theophylline
    • NSC_28329
    • 7-[2-(Diethylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
    • AKOS024481061
    • {7-[(Diethylamino)ethyl]theophylline}
    • DB13592
    • Diaethylaminoaethyl-theophyllin(GERMAN)
    • 7-(2-(Diethylamino)ethyl)-Theophylline
    • {7-[2-(Diethylamino)ethyl]theophylline}
    • CAS_314-35-2
    • HY-105762
    • NS00008740
    • Theophylline, {7-[2-(diethylamino)ethyl]-}
    • VU0606073-1
    • D07378
    • Q5402412
    • {7-[2-(Diethylamino)ethyl]-1,} 3-dimethylxanthine
    • 1, {3-Dimethyl-7-[2-(diethylamino)ethyl]xanthine}
    • 1H-Purine-2, 7-[2-(diethylamino)ethyl]-3,7-dihydro-1,3-dimethyl-
    • 7-[2-(Diethylamino)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione #
    • 314-35-2

  • Applications

    Etamiphyllin (CAS 314-35-2) is a methylxanthine derivative used primarily in pharmaceutical contexts as an active pharmaceutical ingredient or precursor for bronchodilator formulations. In pharmaceutical R&D, it is often treated as an intermediate for the synthesis of related methylxanthine compounds. In analytical chemistry, it can be used as a reference standard or analytical reagent for quantifying related compounds. In chemical manufacturing, it may serve as an intermediate for the production of other methylxanthine derivatives. In academic or laboratory settings, it is used as a research chemical for studies of structure-activity relationships within this class. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.22
    methanol 21.02
    isopropanol 7.08
    water 11.51
    ethyl acetate 10.59
    n-propanol 9.1
    acetone 11.62
    n-butanol 9.43
    acetonitrile 16.2
    DMF 38.05
    toluene 5.01
    isobutanol 9.93
    1,4-dioxane 9.33
    methyl acetate 13.87
    THF 17.94
    2-butanone 14.87
    n-pentanol 7.26
    sec-butanol 10.07
    n-hexane 0.36
    ethylene glycol 21.44
    NMP 84.63
    cyclohexane 0.71
    DMSO 57.98
    n-butyl acetate 9.87
    n-octanol 0.96
    chloroform 80.56
    n-propyl acetate 7.32
    acetic acid 124.62
    dichloromethane 105.33
    cyclohexanone 34.41
    propylene glycol 15.73
    isopropyl acetate 6.12
    DMAc 73.65
    2-ethoxyethanol 22.31
    isopentanol 10.56
    n-heptane 0.21
    ethyl formate 22.59
    1,2-dichloroethane 49.03
    n-hexanol 5.93
    2-methoxyethanol 48.26
    isobutyl acetate 4.86
    tetrachloromethane 14.61
    n-pentyl acetate 5.52
    transcutol 23.25
    n-heptanol 2.73
    ethylbenzene 2.68
    MIBK 5.49
    2-propoxyethanol 22.15
    tert-butanol 7.72
    MTBE 3.1
    2-butoxyethanol 13.26
    propionic acid 39.24
    o-xylene 4.61
    formic acid 191.99
    diethyl ether 2.59
    m-xylene 3.74
    p-xylene 5.54
    chlorobenzene 18.0
    dimethyl carbonate 10.52
    n-octane 0.1
    formamide 190.86
    cyclopentanone 33.91
    2-pentanone 8.67
    anisole 4.39
    cyclopentyl methyl ether 6.78
    gamma-butyrolactone 59.96
    1-methoxy-2-propanol 21.02
    pyridine 33.5
    3-pentanone 8.79
    furfural 106.87
    n-dodecane 0.07
    diethylene glycol 37.27
    diisopropyl ether 0.99
    tert-amyl alcohol 12.14
    acetylacetone 14.27
    n-hexadecane 0.08
    acetophenone 12.89
    methyl propionate 12.29
    isopentyl acetate 10.31
    trichloroethylene 122.79
    n-nonanol 1.14
    cyclohexanol 12.96
    benzyl alcohol 17.37
    2-ethylhexanol 3.83
    isooctanol 2.57
    dipropyl ether 1.74
    1,2-dichlorobenzene 19.78
    ethyl lactate 10.91
    propylene carbonate 44.59
    n-methylformamide 41.08
    2-pentanol 5.11
    n-pentane 0.34
    1-propoxy-2-propanol 11.33
    1-methoxy-2-propyl acetate 12.23
    2-(2-methoxypropoxy) propanol 12.98
    mesitylene 1.97
    ε-caprolactone 38.5
    p-cymene 2.53
    epichlorohydrin 70.1
    1,1,1-trichloroethane 34.52
    2-aminoethanol 24.31
    morpholine-4-carbaldehyde 48.79
    sulfolane 87.49
    2,2,4-trimethylpentane 0.38
    2-methyltetrahydrofuran 15.02
    n-hexyl acetate 3.9
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 12.69
    sec-butyl acetate 4.76
    tert-butyl acetate 5.27
    decalin 0.45
    glycerin 45.71
    diglyme 22.23
    acrylic acid 62.0
    isopropyl myristate 1.33
    n-butyric acid 40.68
    acetyl acetate 12.11
    di(2-ethylhexyl) phthalate 6.85
    ethyl propionate 6.5
    nitromethane 95.99
    1,2-diethoxyethane 4.13
    benzonitrile 21.68
    trioctyl phosphate 3.36
    1-bromopropane 12.82
    gamma-valerolactone 61.43
    n-decanol 0.88
    triethyl phosphate 8.44
    4-methyl-2-pentanol 3.5
    propionitrile 11.67
    vinylene carbonate 48.51
    1,1,2-trichlorotrifluoroethane 120.7
    DMS 10.82
    cumene 2.42
    2-octanol 1.28
    2-hexanone 7.13
    octyl acetate 2.24
    limonene 2.73
    1,2-dimethoxyethane 16.69
    ethyl orthosilicate 6.73
    tributyl phosphate 4.93
    diacetone alcohol 14.2
    N,N-dimethylaniline 4.89
    acrylonitrile 24.34
    aniline 18.1
    1,3-propanediol 30.72
    bromobenzene 15.34
    dibromomethane 51.71
    1,1,2,2-tetrachloroethane 81.73
    2-methyl-cyclohexyl acetate 8.92
    tetrabutyl urea 5.94
    diisobutyl methanol 1.91
    2-phenylethanol 13.77
    styrene 3.16
    dioctyl adipate 3.75
    dimethyl sulfate 34.97
    ethyl butyrate 7.31
    methyl lactate 19.53
    butyl lactate 10.13
    diethyl carbonate 7.73
    propanediol butyl ether 9.05
    triethyl orthoformate 6.34
    p-tert-butyltoluene 1.92
    methyl 4-tert-butylbenzoate 10.26
    morpholine 15.6
    tert-butylamine 3.27
    n-dodecanol 0.68
    dimethoxymethane 11.12
    ethylene carbonate 33.8
    cyrene 29.71
    2-ethoxyethyl acetate 9.84
    2-ethylhexyl acetate 8.3
    1,2,4-trichlorobenzene 29.97
    4-methylpyridine 25.66
    dibutyl ether 0.88
    2,6-dimethyl-4-heptanol 1.91
    DEF 16.38
    dimethyl isosorbide 25.4
    tetrachloroethylene 66.49
    eugenol 16.0
    triacetin 8.24
    span 80 9.22
    1,4-butanediol 15.25
    1,1-dichloroethane 29.93
    2-methyl-1-pentanol 10.18
    methyl formate 32.75
    2-methyl-1-butanol 12.27
    n-decane 0.1
    butyronitrile 11.56
    3,7-dimethyl-1-octanol 1.7
    1-chlorooctane 0.59
    1-chlorotetradecane 0.3
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.31
    cyclooctane 0.19
    cyclopentanol 17.21
    tetrahydropyran 7.34
    tert-amyl methyl ether 3.99
    2,5,8-trioxanonane 17.4
    1-hexene 1.57
    2-isopropoxyethanol 12.94
    2,2,2-trifluoroethanol 112.74
    methyl butyrate 11.41

    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