Dihydrouracil

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  • Identifiers

    CAS number
    504-07-4

    Molecular formula
    C4H6N2O2

    SMILES
    C1CNC(=O)NC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 42.73%
    Sweet 42.43%
    Nutty 33.87%
    Burnt 30.94%
    Spicy 27.81%
    Caramellic 23.52%
    Roasted 21.04%
    Popcorn 20.26%
    Ethereal 19.66%
    Pungent 18.73%

     

    Flavor
    Bitter 55.19%
    Odorless 30.13%
    Nitrile 20.28%
    Shrimp 19.86%
    Formyl 19.81%
    Taco 19.8%
    Urine 19.59%
    Alkaline 19.55%
    Rotten 19.55%
    Fenugreek 19.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    10.08 (weak base)

    Molecular weight
    114.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Melting point expt.

    • 279 - 281 °C

    Flash point

    • 160.24 ˚C est.

  • Synonyms

    • dihydrouracil
    • 5,6-dihydrouracil
    • 504-07-4
    • Hydrouracil
    • 5,6-Dihydro-2,4-dihydroxypyrimidine
    • Dihydrouracile
    • 1,3-diazinane-2,4-dione
    • 2,4(1H,3H)-Pyrimidinedione, dihydro-
    • Dihydro-2,4(1H,3H)-pyrimidinedione
    • 2,4-Dioxotetrahydropyrimidine
    • DTXSID7060122
    • CHEBI:15901
    • 016FR52RU5
    • NSC-11867
    • RefChem:133968
    • DTXCID6040828
    • 207-982-1
    • DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE
    • Dihydro Uracil
    • hexahydropyrimidine-2,4-dione
    • MFCD00006029
    • DI-H-uracil
    • 4,5-dihydrouracil
    • Hydrouracil (8CI)
    • 5,6-Dihydro-2,4(1H,3H)-pyrimidinedione
    • 5,6-Dihydro Uracil-13C15N2
    • Dihydro-pyrimidine-2,4-dione
    • AI3-50443
    • CHEMBL1232394
    • NSC11867
    • DUC
    • 3,4-DIHYDROURACIL
    • 1,3,5,6-tetrahydropyrimidine-2,4-dione
    • UNII-016FR52RU5
    • Uracil, dihydro-
    • EINECS 207-982-1
    • NSC 11867
    • Dihydropyrimidine-dione
    • 5,4-dihydroxypyrimidine
    • Hydrouracil (6CI,8CI)
    • bmse000425
    • dihydropyrimidine-2,4-dione
    • SCHEMBL29419
    • SCHEMBL439754
    • SCHEMBL545736
    • SCHEMBL964388
    • orb1302479
    • SCHEMBL1062405
    • SCHEMBL1424662
    • SCHEMBL2510196
    • SCHEMBL11345853
    • 2,3H)-Pyrimidinedione, dihydro-
    • HMS3604J13
    • BDBM50621579
    • EBC-47528
    • MSK005026
    • SBB007702
    • STK677038
    • XH0481
    • 2,6-dihydroxy-4,5-dihydropyrimidine
    • AKOS001082457
    • CS-W013642
    • DB01849
    • FD08412
    • HY-W012926
    • SB57251
    • AS-11656
    • SY027535
    • DB-071190
    • NS00032057
    • ST50828251
    • EN300-10815
    • Pyrimidine-2,4(1H,3H)-dione,5,6-dihydro-
    • C00429
    • F11823
    • 2,4(1H,3H)-Pyrimidinedione, dihydro- (9CI)
    • 504D074
    • F319958
    • Q409340
    • 6AAFA8BE-A3E1-41A4-85F8-FBE71F510CAD
    • Dihydrouracil; 2,4(1H,3H)-Pyrimidinedione, dihydro-
    • Z57033885
    • F1913-1959
    • 504-07-4

  • Applications

    Dihydrouracil (CAS 504-07-4) is used in pharmaceutical research as an intermediate and building block for pyrimidine-derived compounds, including nucleoside analog scaffolds under medicinal chemistry exploration. In analytical chemistry, it serves as a reference standard and calibration material for LC-MS/HPLC methods to quantify uracil-related metabolites and to support metabolic studies. In biochemical and enzymology contexts, it is employed as a substrate or metabolite standard to investigate pathways involving dihydropyrimidine dehydrogenase and related enzymes. It may also be used as a starting material for the synthesis of related heterocyclic pyrimidinone backbones in medicinal chemistry programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.16
    methanol 13.31
    isopropanol 2.13
    water 48.63
    ethyl acetate 1.34
    n-propanol 2.41
    acetone 3.1
    n-butanol 1.77
    acetonitrile 2.11
    DMF 119.57
    toluene 0.11
    isobutanol 1.57
    1,4-dioxane 2.68
    methyl acetate 2.04
    THF 6.29
    2-butanone 1.88
    n-pentanol 1.39
    sec-butanol 1.56
    n-hexane 0.04
    ethylene glycol 19.13
    NMP 87.3
    cyclohexane 0.02
    DMSO 88.82
    n-butyl acetate 1.27
    n-octanol 0.6
    chloroform 0.46
    n-propyl acetate 1.27
    acetic acid 32.4
    dichloromethane 0.65
    cyclohexanone 3.68
    propylene glycol 18.27
    isopropyl acetate 0.9
    DMAc 83.02
    2-ethoxyethanol 11.01
    isopentanol 1.58
    n-heptane 0.03
    ethyl formate 4.02
    1,2-dichloroethane 0.43
    n-hexanol 0.77
    2-methoxyethanol 29.47
    isobutyl acetate 0.76
    tetrachloromethane 0.13
    n-pentyl acetate 0.98
    transcutol 16.92
    n-heptanol 0.69
    ethylbenzene 0.12
    MIBK 1.26
    2-propoxyethanol 8.29
    tert-butanol 2.2
    MTBE 0.46
    2-butoxyethanol 5.5
    propionic acid 10.15
    o-xylene 0.22
    formic acid 63.22
    diethyl ether 0.35
    m-xylene 0.22
    p-xylene 0.22
    chlorobenzene 0.22
    dimethyl carbonate 3.49
    n-octane 0.02
    formamide 61.03
    cyclopentanone 7.89
    2-pentanone 1.51
    anisole 0.81
    cyclopentyl methyl ether 1.15
    gamma-butyrolactone 16.75
    1-methoxy-2-propanol 16.83
    pyridine 2.02
    3-pentanone 1.04
    furfural 22.23
    n-dodecane 0.02
    diethylene glycol 18.03
    diisopropyl ether 0.13
    tert-amyl alcohol 1.84
    acetylacetone 3.39
    n-hexadecane 0.02
    acetophenone 2.05
    methyl propionate 2.74
    isopentyl acetate 1.3
    trichloroethylene 0.97
    n-nonanol 0.61
    cyclohexanol 0.96
    benzyl alcohol 1.98
    2-ethylhexanol 0.52
    isooctanol 0.64
    dipropyl ether 0.48
    1,2-dichlorobenzene 0.38
    ethyl lactate 4.47
    propylene carbonate 8.23
    n-methylformamide 36.7
    2-pentanol 0.75
    n-pentane 0.02
    1-propoxy-2-propanol 4.81
    1-methoxy-2-propyl acetate 3.16
    2-(2-methoxypropoxy) propanol 8.98
    mesitylene 0.18
    ε-caprolactone 5.45
    p-cymene 0.22
    epichlorohydrin 5.74
    1,1,1-trichloroethane 0.27
    2-aminoethanol 19.3
    morpholine-4-carbaldehyde 47.21
    sulfolane 33.55
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 1.92
    n-hexyl acetate 1.26
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 9.2
    sec-butyl acetate 0.7
    tert-butyl acetate 1.1
    decalin 0.03
    glycerin 45.06
    diglyme 13.91
    acrylic acid 18.18
    isopropyl myristate 0.53
    n-butyric acid 6.0
    acetyl acetate 1.43
    di(2-ethylhexyl) phthalate 2.24
    ethyl propionate 1.34
    nitromethane 36.91
    1,2-diethoxyethane 1.29
    benzonitrile 1.55
    trioctyl phosphate 1.22
    1-bromopropane 0.16
    gamma-valerolactone 23.89
    n-decanol 0.46
    triethyl phosphate 1.46
    4-methyl-2-pentanol 0.62
    propionitrile 1.29
    vinylene carbonate 8.35
    1,1,2-trichlorotrifluoroethane 17.75
    DMS 2.48
    cumene 0.17
    2-octanol 0.4
    2-hexanone 1.24
    octyl acetate 0.88
    limonene 0.26
    1,2-dimethoxyethane 10.15
    ethyl orthosilicate 1.1
    tributyl phosphate 1.49
    diacetone alcohol 4.97
    N,N-dimethylaniline 1.14
    acrylonitrile 3.49
    aniline 0.77
    1,3-propanediol 13.83
    bromobenzene 0.13
    dibromomethane 0.3
    1,1,2,2-tetrachloroethane 0.91
    2-methyl-cyclohexyl acetate 1.33
    tetrabutyl urea 2.85
    diisobutyl methanol 0.44
    2-phenylethanol 1.43
    styrene 0.13
    dioctyl adipate 1.64
    dimethyl sulfate 12.66
    ethyl butyrate 1.29
    methyl lactate 12.05
    butyl lactate 3.34
    diethyl carbonate 1.24
    propanediol butyl ether 8.57
    triethyl orthoformate 1.31
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.99
    morpholine 5.79
    tert-butylamine 0.61
    n-dodecanol 0.35
    dimethoxymethane 9.95
    ethylene carbonate 5.2
    cyrene 14.71
    2-ethoxyethyl acetate 2.08
    2-ethylhexyl acetate 0.95
    1,2,4-trichlorobenzene 0.63
    4-methylpyridine 1.88
    dibutyl ether 0.38
    2,6-dimethyl-4-heptanol 0.44
    DEF 7.12
    dimethyl isosorbide 10.88
    tetrachloroethylene 0.57
    eugenol 5.7
    triacetin 3.55
    span 80 6.25
    1,4-butanediol 6.77
    1,1-dichloroethane 0.24
    2-methyl-1-pentanol 1.29
    methyl formate 19.62
    2-methyl-1-butanol 1.53
    n-decane 0.03
    butyronitrile 1.23
    3,7-dimethyl-1-octanol 0.66
    1-chlorooctane 0.11
    1-chlorotetradecane 0.07
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 2.31
    tetrahydropyran 0.74
    tert-amyl methyl ether 0.6
    2,5,8-trioxanonane 12.54
    1-hexene 0.12
    2-isopropoxyethanol 4.71
    2,2,2-trifluoroethanol 17.12
    methyl butyrate 2.38

    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