4-Methyl-7-diethylaminocoumarin

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  • Identifiers

    CAS number
    91-44-1

    Molecular formula
    C14H17NO2

    SMILES
    CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Animal 33.08%
    Roasted 32.99%
    Meaty 28.13%
    Burnt 28.12%
    Savory 25.33%
    Odorless 24.49%
    Cheesy 22.61%
    Fatty 22.31%
    Grape 21.87%
    Sweet 21.53%

     

    Flavor
    Bitter 47.24%
    Herbal 24.05%
    Mild 21.33%
    Cedarleaf 21.1%
    Green pepper 21.08%
    Syrup 20.55%
    Parsley 20.4%
    Lovage 20.37%
    Carrot 20.33%
    Creosote 19.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.97 (neutral)

    Molecular weight
    231.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    414°C

    Melting point expt.

    • 154 to 162 °F (NTP, 1992)
    • 89 °C

    Flash point

    • 177.23 ˚C est.

    Solubility expt.

    • Slightly soluble in hot solvent (NTP, 1992)
    • SLIGHTLY SOL IN HOT WATER; SOL IN ALC, ETHER, ACETONE, ORDINARY ORGANIC SOLVENTS
    • SOL IN AQ ACID SOLN, RESINS, VARNISHES, VINYLS; SLIGHTLY SOL IN ALIPHATIC HYDROCARBONS

  • Synonyms

    • 4-Methyl-7-diethylaminocoumarin
    • RefChem:546318
    • 7-DIETHYLAMINO-4-METHYLCOUMARIN
    • 91-44-1
    • Coumarin 1
    • 7-(Diethylamino)-4-methyl-2H-chromen-2-one
    • Coumarin 460
    • Coumarin 47
    • 7-(Diethylamino)-4-methylcoumarin
    • 4-Methyl-7-(diethylamino)coumarin
    • 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-
    • Diethylaminomethylcoumarin
    • Blancophor AW
    • Blancophor FFG
    • Uvitex WGS
    • MDAC)
    • Calcofluor White RW
    • Calcofluor White SD
    • Coumarin, 7-(diethylamino)-4-methyl-
    • MDAC
    • Fluorescent brightener 52
    • Aclarat 8678
    • Hakkol P
    • 12224-03-2
    • 7-(Diethylamino)-4-methyl-2H-1-benzopyran-2-one
    • 7D4MC
    • 7-(diethylamino)-4-methylchromen-2-one
    • MFCD00006864
    • coumarin-1
    • FLUORESCENT BRIGHTENER 140
    • Coumarin, 7-diethylamino-4-methyl-
    • NSC 61830
    • 61968-71-6
    • C 47
    • DTXSID9025035
    • 1SFJ7F6R2C
    • CHEMBL315348
    • NSC61830
    • 7'-(Diethylamino)-4-methylcoumarin
    • NSC-61830
    • Uvitex swn
    • Hiltamine Artic White SOL
    • DTXCID405035
    • 7-Diethylamino-4-methylcoumarin (purified by sublimation)
    • 7-Diethylamino-4-methyl-chromen-2-one
    • CAS-91-44-1
    • CCRIS 5907
    • 7-Diethylamino-4-methyl-1-benzo-pyran-2-one
    • 7-diethylamino-4-methyl coumarin
    • HSDB 4244
    • C.I. Fluorescent Brightener 140
    • EINECS 202-068-9
    • UNII-1SFJ7F6R2C
    • BRN 0193303
    • 7-(Diethylamino)-4-methyl-2-benzopyrone
    • AI3-18869
    • C.I. Fluorescent Brightener 52
    • 6ZW
    • 7-(diethylamino)-4-methyl-chromen-2-one
    • ChemDiv3_000065
    • C.I. 551100
    • Oprea1_704968
    • SCHEMBL67108
    • MLS002152891
    • BIDD:GT0821
    • SCHEMBL5964617
    • SCHEMBL27090278
    • SCHEMBL29362472
    • CHEBI:51938
    • MSK5892
    • HMS1473C21
    • HMS3039I13
    • BB_SC-00323
    • HY-D0082
    • Tox21_201789
    • Tox21_303285
    • AC2163
    • BBL027619
    • BDBM50078833
    • CCG-15101
    • SBB059427
    • STK874253
    • AKOS001483296
    • WLN: T66 BOVJ E1 IN2&2
    • 2434_7-Diethylamino-4-methylcoumarin
    • 7-Diethylamino-4-methylcoumarin, 99%
    • EBC-609665
    • FD54872
    • IDI1_019383
    • NCGC00091624-01
    • NCGC00091624-02
    • NCGC00091624-03
    • NCGC00172593-01
    • NCGC00257038-01
    • NCGC00259338-01
    • AC-16889
    • AS-14613
    • SMR001224503
    • SY012944
    • DB-000603
    • CS-0009995
    • D5730
    • M0631
    • NS00009481
    • ST45025817
    • 7-DIETHYLAMINO-4-METHYLCOUMARIN [HSDB]
    • 7-(Diethylamino)-4-methyl-2H-chromen-2-one #
    • AF-960/00437064
    • EN300-18465514
    • F235758
    • SR-01000389311
    • J-100125
    • SR-01000389311-1
    • BRD-K26694113-001-01-7
    • Q27123009
    • InChI=1/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H
    • 91-44-1

  • Applications

    For 4-Methyl-7-diethylaminocoumarin (CAS 91-44-1), the compound is typically used as a chromophore and fluorophore in several industrial contexts. It may serve as a fluorescent dye or laser dye in photonics and electronics, as a colorant or additive in coatings, inks, and polymer/plastic formulations, as an analytical reagent or fluorescence probe for chemical analysis, and as an intermediate in the synthesis of other coumarin-based dyes and pigments.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.84
    methanol 10.01
    isopropanol 5.47
    water 0.08
    ethyl acetate 15.92
    n-propanol 8.99
    acetone 16.1
    n-butanol 10.25
    acetonitrile 7.32
    DMF 98.76
    toluene 8.66
    isobutanol 8.21
    1,4-dioxane 24.3
    methyl acetate 16.59
    THF 68.74
    2-butanone 20.29
    n-pentanol 6.34
    sec-butanol 6.53
    n-hexane 0.7
    ethylene glycol 5.16
    NMP 188.75
    cyclohexane 0.84
    DMSO 103.64
    n-butyl acetate 21.46
    n-octanol 1.5
    chloroform 103.77
    n-propyl acetate 11.92
    acetic acid 27.76
    dichloromethane 140.43
    cyclohexanone 54.69
    propylene glycol 4.62
    isopropyl acetate 12.6
    DMAc 132.58
    2-ethoxyethanol 17.02
    isopentanol 12.24
    n-heptane 0.38
    ethyl formate 11.42
    1,2-dichloroethane 101.02
    n-hexanol 7.56
    2-methoxyethanol 38.86
    isobutyl acetate 10.61
    tetrachloromethane 8.94
    n-pentyl acetate 9.59
    transcutol 89.5
    n-heptanol 3.36
    ethylbenzene 4.7
    MIBK 15.21
    2-propoxyethanol 33.42
    tert-butanol 10.67
    MTBE 11.53
    2-butoxyethanol 14.6
    propionic acid 16.73
    o-xylene 8.3
    formic acid 17.54
    diethyl ether 8.33
    m-xylene 8.25
    p-xylene 7.36
    chlorobenzene 26.57
    dimethyl carbonate 17.45
    n-octane 0.15
    formamide 33.12
    cyclopentanone 72.43
    2-pentanone 19.22
    anisole 13.34
    cyclopentyl methyl ether 28.88
    gamma-butyrolactone 86.31
    1-methoxy-2-propanol 24.96
    pyridine 35.99
    3-pentanone 17.23
    furfural 89.22
    n-dodecane 0.12
    diethylene glycol 30.8
    diisopropyl ether 3.44
    tert-amyl alcohol 11.3
    acetylacetone 30.49
    n-hexadecane 0.14
    acetophenone 19.52
    methyl propionate 21.31
    isopentyl acetate 25.54
    trichloroethylene 224.69
    n-nonanol 1.83
    cyclohexanol 12.34
    benzyl alcohol 13.43
    2-ethylhexanol 6.17
    isooctanol 3.66
    dipropyl ether 6.46
    1,2-dichlorobenzene 35.07
    ethyl lactate 9.54
    propylene carbonate 41.44
    n-methylformamide 30.32
    2-pentanol 5.8
    n-pentane 0.52
    1-propoxy-2-propanol 20.71
    1-methoxy-2-propyl acetate 35.43
    2-(2-methoxypropoxy) propanol 24.45
    mesitylene 4.91
    ε-caprolactone 50.42
    p-cymene 5.39
    epichlorohydrin 148.67
    1,1,1-trichloroethane 48.03
    2-aminoethanol 9.56
    morpholine-4-carbaldehyde 108.78
    sulfolane 191.1
    2,2,4-trimethylpentane 0.8
    2-methyltetrahydrofuran 40.7
    n-hexyl acetate 9.67
    isooctane 0.47
    2-(2-butoxyethoxy)ethanol 23.52
    sec-butyl acetate 10.16
    tert-butyl acetate 19.9
    decalin 1.09
    glycerin 15.17
    diglyme 59.89
    acrylic acid 22.46
    isopropyl myristate 4.56
    n-butyric acid 23.6
    acetyl acetate 14.53
    di(2-ethylhexyl) phthalate 9.79
    ethyl propionate 13.73
    nitromethane 52.44
    1,2-diethoxyethane 17.6
    benzonitrile 15.06
    trioctyl phosphate 4.94
    1-bromopropane 23.38
    gamma-valerolactone 117.48
    n-decanol 1.43
    triethyl phosphate 16.99
    4-methyl-2-pentanol 5.48
    propionitrile 8.6
    vinylene carbonate 42.38
    1,1,2-trichlorotrifluoroethane 87.98
    DMS 26.73
    cumene 4.47
    2-octanol 1.82
    2-hexanone 12.93
    octyl acetate 5.58
    limonene 7.01
    1,2-dimethoxyethane 36.36
    ethyl orthosilicate 15.38
    tributyl phosphate 8.77
    diacetone alcohol 27.5
    N,N-dimethylaniline 13.86
    acrylonitrile 15.46
    aniline 20.71
    1,3-propanediol 15.98
    bromobenzene 26.48
    dibromomethane 64.89
    1,1,2,2-tetrachloroethane 144.55
    2-methyl-cyclohexyl acetate 21.18
    tetrabutyl urea 12.22
    diisobutyl methanol 4.77
    2-phenylethanol 17.22
    styrene 5.03
    dioctyl adipate 10.98
    dimethyl sulfate 60.33
    ethyl butyrate 16.9
    methyl lactate 15.86
    butyl lactate 11.34
    diethyl carbonate 14.86
    propanediol butyl ether 8.47
    triethyl orthoformate 15.53
    p-tert-butyltoluene 5.28
    methyl 4-tert-butylbenzoate 22.06
    morpholine 38.08
    tert-butylamine 6.1
    n-dodecanol 1.16
    dimethoxymethane 43.15
    ethylene carbonate 32.14
    cyrene 35.55
    2-ethoxyethyl acetate 21.12
    2-ethylhexyl acetate 20.49
    1,2,4-trichlorobenzene 47.1
    4-methylpyridine 38.45
    dibutyl ether 3.47
    2,6-dimethyl-4-heptanol 4.77
    DEF 36.99
    dimethyl isosorbide 72.57
    tetrachloroethylene 76.76
    eugenol 22.98
    triacetin 17.48
    span 80 14.4
    1,4-butanediol 5.04
    1,1-dichloroethane 40.45
    2-methyl-1-pentanol 10.08
    methyl formate 21.07
    2-methyl-1-butanol 11.79
    n-decane 0.18
    butyronitrile 9.36
    3,7-dimethyl-1-octanol 3.17
    1-chlorooctane 1.43
    1-chlorotetradecane 0.7
    n-nonane 0.15
    undecane 0.14
    tert-butylcyclohexane 1.03
    cyclooctane 0.31
    cyclopentanol 15.0
    tetrahydropyran 20.77
    tert-amyl methyl ether 12.8
    2,5,8-trioxanonane 45.23
    1-hexene 3.3
    2-isopropoxyethanol 12.35
    2,2,2-trifluoroethanol 20.86
    methyl butyrate 17.56

    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