Difenacoum

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  • Identifiers

    CAS number
    56073-07-5

    Molecular formula
    C31H24O3

    SMILES
    C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 44.92%
    Balsamic 35.41%
    Phenolic 35.32%
    Sweet 34.01%
    Spicy 33.71%
    Animal 33.58%
    Herbal 27.32%
    Metallic 26.62%
    Fruity 26.53%
    Rose 26.39%

     

    Flavor
    Bitter 73.57%
    Animal 24.3%
    Very strong 21.34%
    Balsam 21.34%
    Moth ball 21.27%
    Naphthelene 21.26%
    Indole 21.17%
    Tar 20.68%
    Nitrile 20.44%
    Tarry 20.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    7.36 (neutral)

    Molecular weight
    444.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 215-217 °C

    Boiling point

    • 290 °C (decomposes before boiling)

    Flash point

    • 241.07 ˚C est.

    Solubility expt.

    • In water at 20 °C, 84 mg/L (pH 9.3); 2.5 mg/L (pH 7.3); 0.031 mg/L (pH 5.2)
    • In water at 20 °C, 0.0025 mg/L at pH 4.0; 0.483 mg/L at pH 6.5; 3.72 mg/L at pH 8.9
    • Slightly soluble in alcohols; soluble in acetone, chloroform, and other chlorinated solvents.
    • Moderately soluble in acetone and ethanol; practically insoluble in petroleum ether
    • In acetone, chloroform >50; ethyl acetate 2, benzene 0.6 (all in g/L at 25 °C)

  • Synonyms

    • Difenacoum
    • 56073-07-5
    • Neosorexa
    • Ratak
    • Diphenacoum
    • Difenakum
    • Neosorexa PP580
    • Difenakum [Czech]
    • Difenacoum [BSI:ISO]
    • Difenacoum [ISO]
    • WBA 8107
    • Neosorex
    • HSDB 6609
    • UNII-SBA3K9U26B
    • EINECS 259-978-4
    • SBA3K9U26B
    • PP, rat
    • 3-(3-Biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin
    • DIFENACOUM [MI]
    • 2H-1-Benzopyran-2-one, 3-(3-(1,1'-biphenyl)-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-
    • DIPHENACOUM [HSDB]
    • 3-(3-(1,1'-Biphenyl)-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzopyran-2-one
    • DTXSID2058128
    • PP 580
    • COUMARIN, 3-(3-(4-BIPHENYLYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHYL)-4-HYDROXY-
    • 2H-1-Benzopyran-2-one, 3-(3-[1,1'-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-
    • fenacoum
    • 3-(3-(4-Biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxycoumarin
    • 2-hydroxy-3-(3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-4H-chromen-4-one
    • 2-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromen-4-one
    • 2H-1-Benzopyran-2-one, 3-(3-[1,1'-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-; Difenacoum; Diphenacoum; Neosorexa; Ratak
    • 3-(3-p-Diphenyl-1,2,3,4-tetrahydronaphth-1-yl) -4-hydroxycoumarin
    • SCHEMBL122474
    • SCHEMBL122475
    • CHEMBL5416849
    • DTXCID5031896
    • BDBM85791
    • CHEBI:80743
    • 3-(3-p-Diphenyl-1,2,3,4-tetrahydronaphth-1-yl)-4-hydroxycoumarin
    • Difenacoum 10 microg/mL in Methanol
    • AKOS015960905
    • Difenacoum 100 microg/mL in Methanol
    • FD01490
    • 4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one
    • USEPA/OPP Pesticide Code: 119901
    • AC-12415
    • NS00015683
    • Difenacoum, PESTANAL(R), analytical standard
    • Q424775
    • 3(3Biphenyl4yl1,2,3,4tetrahydro1naphthyl)4hydroxycoumarin
    • 2H1Benzopyran2one, 3(3(1,1'biphenyl)4yl1,2,3,4tetrahydro1naphthalenyl)4hydroxy
    • 3(3(1,1'Biphenyl)4yl1,2,3,4tetrahydro1naphthalenyl)4hydroxy2H1benzopyran2one
    • 3-(3-(1,1'-Biphenyl)-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-1H-1-benz opyran
    • 3-(3-BIPHENYL-4-YL-1,2,3,4-TETRAHYDRO-1-NAPHTHYL)-4- HYDROXYCOUMARIN
    • 3-(3-P-DIPHENYL-1,2,3,4-TETRAHYDRONAPHTH-1-YL) -4- HYDROXYCOUMARIN
    • COUMARIN, 3-(3-(4-BIPHENYLYL)-1,2,3,4-TETRAHYDRO-1- NAPHTHYL)-4-HYDROXY-
    • 2H-1-BENZOPYRAN-2-ONE, 3-(3-(1,1'-BIPHENYL)-4-YL-1,2,3,4- TETRAHYDRO-1-NAPHTHALENYL)-4-HYDROXY-
    • 2H-1-Benzopyran-2-one,3-(3-(1,1'-biphenyl)-4-yl-1,2,3,4-tetrahydro-1-naphthaleny l)-4-hydroxy-
    • 3-(3-(1,1'-BIPHENYL)-4-YL-1,2,3,4-TETRAHYDRO-1- NAPHTHALENYL)-4-HYDROXY-2H-1-BENZOPYRAN-2-ONE
    • 3-(3-(1,1'-biphenyl)-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benz opyran-2-one
    • 3-(3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-chromen-2-one #
    • 3-(3-p-Diphenyl-1,2,3,4-tetrahydronaphth-1-yl)-4-hydroxycoumarin;3-(3-Biphenyl-4-yl-1,2,3,4-tetrahydro-naphthalen-1-yl)-4-hydroxychr omen-2-one

  • Applications

    Difenacoum (CAS 56073-07-5) is the active ingredient in anticoagulant rodenticides. In professional pest management, it is formulated into baits such as blocks, pellets, or tamper-resistant stations to control rats and other rodents in agricultural settings, storage facilities, urban environments, and industrial sites. Applications are commonly implemented within integrated pest management (IPM) programs to reduce rodent populations while ensuring safety through proper placement and compliance with regulations. Use is focused on rodent control and must comply with local regulations and product labeling to limit access by non-targets.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.27
    methanol 0.5
    isopropanol 0.18
    water 0.0
    ethyl acetate 0.4
    n-propanol 0.41
    acetone 0.68
    n-butanol 0.4
    acetonitrile 0.11
    DMF 2.83
    toluene 1.51
    isobutanol 0.28
    1,4-dioxane 2.76
    methyl acetate 0.53
    THF 10.23
    2-butanone 1.28
    n-pentanol 0.33
    sec-butanol 0.26
    n-hexane 0.01
    ethylene glycol 0.09
    NMP 2.48
    cyclohexane 0.02
    DMSO 2.47
    n-butyl acetate 0.55
    n-octanol 0.22
    chloroform 5.17
    n-propyl acetate 0.41
    acetic acid 0.65
    dichloromethane 5.36
    cyclohexanone 2.56
    propylene glycol 0.15
    isopropyl acetate 0.48
    DMAc 4.93
    2-ethoxyethanol 1.08
    isopentanol 0.42
    n-heptane 0.03
    ethyl formate 0.42
    1,2-dichloroethane 2.86
    n-hexanol 0.31
    2-methoxyethanol 1.88
    isobutyl acetate 0.4
    tetrachloromethane 0.21
    n-pentyl acetate 0.9
    transcutol 7.0
    n-heptanol 0.34
    ethylbenzene 0.43
    MIBK 0.85
    2-propoxyethanol 1.95
    tert-butanol 0.19
    MTBE 0.36
    2-butoxyethanol 1.5
    propionic acid 0.42
    o-xylene 0.54
    formic acid 0.44
    diethyl ether 0.4
    m-xylene 0.62
    p-xylene 0.46
    chlorobenzene 1.34
    dimethyl carbonate 0.81
    n-octane 0.02
    formamide 0.67
    cyclopentanone 4.41
    2-pentanone 0.97
    anisole 1.15
    cyclopentyl methyl ether 1.44
    gamma-butyrolactone 3.38
    1-methoxy-2-propanol 1.52
    pyridine 4.63
    3-pentanone 0.83
    furfural 4.34
    n-dodecane 0.02
    diethylene glycol 1.14
    diisopropyl ether 0.13
    tert-amyl alcohol 0.25
    acetylacetone 1.74
    n-hexadecane 0.02
    acetophenone 1.31
    methyl propionate 0.64
    isopentyl acetate 0.85
    trichloroethylene 10.99
    n-nonanol 0.31
    cyclohexanol 0.35
    benzyl alcohol 1.1
    2-ethylhexanol 0.31
    isooctanol 0.36
    dipropyl ether 0.62
    1,2-dichlorobenzene 1.21
    ethyl lactate 0.41
    propylene carbonate 1.0
    n-methylformamide 0.92
    2-pentanol 0.21
    n-pentane 0.01
    1-propoxy-2-propanol 1.34
    1-methoxy-2-propyl acetate 1.86
    2-(2-methoxypropoxy) propanol 2.04
    mesitylene 0.25
    ε-caprolactone 1.85
    p-cymene 0.33
    epichlorohydrin 9.49
    1,1,1-trichloroethane 0.99
    2-aminoethanol 0.24
    morpholine-4-carbaldehyde 4.4
    sulfolane 5.15
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.64
    n-hexyl acetate 0.84
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.52
    sec-butyl acetate 0.39
    tert-butyl acetate 0.83
    decalin 0.02
    glycerin 0.51
    diglyme 6.12
    acrylic acid 0.63
    isopropyl myristate 0.46
    n-butyric acid 0.7
    acetyl acetate 0.45
    di(2-ethylhexyl) phthalate 0.73
    ethyl propionate 0.39
    nitromethane 1.34
    1,2-diethoxyethane 2.08
    benzonitrile 0.74
    trioctyl phosphate 0.36
    1-bromopropane 0.75
    gamma-valerolactone 8.39
    n-decanol 0.21
    triethyl phosphate 0.49
    4-methyl-2-pentanol 0.21
    propionitrile 0.29
    vinylene carbonate 1.44
    1,1,2-trichlorotrifluoroethane 5.83
    DMS 1.21
    cumene 0.26
    2-octanol 0.19
    2-hexanone 0.75
    octyl acetate 0.49
    limonene 0.36
    1,2-dimethoxyethane 2.78
    ethyl orthosilicate 0.55
    tributyl phosphate 0.42
    diacetone alcohol 1.34
    N,N-dimethylaniline 0.85
    acrylonitrile 0.56
    aniline 1.36
    1,3-propanediol 0.54
    bromobenzene 1.52
    dibromomethane 1.86
    1,1,2,2-tetrachloroethane 6.77
    2-methyl-cyclohexyl acetate 0.73
    tetrabutyl urea 0.83
    diisobutyl methanol 0.31
    2-phenylethanol 1.13
    styrene 0.48
    dioctyl adipate 0.92
    dimethyl sulfate 1.73
    ethyl butyrate 0.54
    methyl lactate 0.73
    butyl lactate 0.93
    diethyl carbonate 0.36
    propanediol butyl ether 0.98
    triethyl orthoformate 0.76
    p-tert-butyltoluene 0.34
    methyl 4-tert-butylbenzoate 1.96
    morpholine 2.66
    tert-butylamine 0.09
    n-dodecanol 0.15
    dimethoxymethane 2.7
    ethylene carbonate 0.86
    cyrene 1.88
    2-ethoxyethyl acetate 2.12
    2-ethylhexyl acetate 0.68
    1,2,4-trichlorobenzene 2.09
    4-methylpyridine 2.6
    dibutyl ether 0.57
    2,6-dimethyl-4-heptanol 0.31
    DEF 1.24
    dimethyl isosorbide 4.92
    tetrachloroethylene 4.28
    eugenol 1.91
    triacetin 1.47
    span 80 1.57
    1,4-butanediol 0.16
    1,1-dichloroethane 1.01
    2-methyl-1-pentanol 0.43
    methyl formate 0.89
    2-methyl-1-butanol 0.4
    n-decane 0.03
    butyronitrile 0.29
    3,7-dimethyl-1-octanol 0.36
    1-chlorooctane 0.19
    1-chlorotetradecane 0.08
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 0.44
    tetrahydropyran 1.47
    tert-amyl methyl ether 0.39
    2,5,8-trioxanonane 3.94
    1-hexene 0.09
    2-isopropoxyethanol 0.76
    2,2,2-trifluoroethanol 0.27
    methyl butyrate 0.56

    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