Fluorouracil

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  • Identifiers

    CAS number
    51-21-8

    Molecular formula
    C4H3FN2O2

    SMILES
    C1=C(C(=O)NC(=O)N1)F

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Odorless 75.19%
    Burnt 29.54%
    Bitter 25.81%
    Pungent 17.12%
    Cooked 16.69%
    Roasted 15.22%
    Nutty 14.69%
    Savory 13.49%
    Caramellic 13.36%
    Sharp 12.86%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.9

    Molecular weight
    130.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • Decomposes at 540-541 °F (EPA, 1998)
    • 282-283
    • 282 °C (decomposes)
    • 280 - 282 °C

    Boiling point

    • Decomposes at 282-283 °C; sublimes (0.1 mm): 190-200 °C

    Flash point est.
    199.98 ˚C

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)
    • 11100 mg/L (at 22 °C)
    • 1 G IN 80 ML WATER, 170 ML ALCOHOL & 55 ML METHANOL; PRACTICALLY INSOL IN CHLOROFORM, ETHER & BENZENE; SOLUBILITY IN AQ SOLN INCR WITH INCR PH OF SOLN
    • Soluble in methanol-water mixtures
    • Sparingly soluble in water and slightly soluble in alcohol. 1 g is soluble in 100 ml of propylene glycol.
    • In water, 1.11X10+4 mg/L at 22 °C
    • 5.86e+00 g/L

  • Synonyms

    • 5-Fluorouracil
    • fluorouracil
    • 51-21-8
    • 5-FU
    • Fluoroplex
    • Efudex
    • Adrucil
    • Carac
    • Fluracil
    • Fluoroblastin
    • Queroplex
    • Phthoruracil
    • Carzonal
    • Kecimeton
    • Fluril
    • 5-fluoropyrimidine-2,4(1H,3H)-dione
    • Fluracilum
    • Timazin
    • Arumel
    • Efudix
    • Ulup
    • 5-Fluoracil
    • Fluorouracilum
    • 5-fluoro-1H-pyrimidine-2,4-dione
    • Fluro Uracil
    • 5 Fluorouracil
    • 5-Fluoruracil
    • Fluorouracilo
    • Ftoruracil
    • Fluri
    • 5-Fluoro-2,4(1H,3H)-pyrimidinedione
    • Effluderm (free base)
    • Fluroblastin
    • 5-Fluoropyrimidine-2,4-dione
    • Efurix
    • Fluoro-uracile
    • Fluoro-uracilo
    • Uracil, 5-fluoro-
    • Ro 2-9757
    • 5-Faracil
    • Cinco FU
    • Fluorouracile
    • 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-
    • 2,4-Dihydroxy-5-fluoropyrimidine
    • 5-fluoro-uracil
    • 5-Fluor-2,4-pyrimidindiol
    • 5-fluoropyrimidine-2,4-diol
    • 2,4-Dioxo-5-fluoropyrimidine
    • Fluorouricil
    • NSC-19893
    • 5-Fluoropyrimidin-2,4-diol
    • 5-fluoro uracil
    • 5-Ftouracyl
    • 5-Fluoro-2,4-pyrimidinedione
    • NSC 19893
    • Fluorouracil Cream
    • 5-Fluor-2,4-dihydroxypyrimidin
    • Fluorouracil, 5-
    • Ro-2-9757
    • U-8953
    • Fluorouracilum [INN-Latin]
    • Fluorouracilo [INN-Spanish]
    • Fluouracil
    • CCRIS 2582
    • Tolak
    • 191047-65-1
    • Fluoro Uracil
    • HSDB 3228
    • 5-Fluracil
    • EINECS 200-085-6
    • FU
    • 5-Fluor-2,4(1H,3H)-pyrimidindion
    • UNII-U3P01618RT
    • 5 FU
    • 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
    • DTXSID2020634
    • CHEBI:46345
    • AI3-25297
    • U3P01618RT
    • NSC19893
    • MFCD00006018
    • Ro-29757
    • 5FU
    • CHEMBL185
    • 2,4-Pyrimidinediol, 5-fluoro- (9CI)
    • DTXCID40634
    • MLS000069498
    • 191047-64-0
    • 191115-88-5
    • Phtoruracil
    • EC 200-085-6
    • URF
    • Fluorouracil [USAN:USP:INN:BAN:JAN]
    • NCGC00015442-02
    • Effluderm
    • SMR000038082
    • Fluorouracile [DCIT]
    • 5-Fluoracil [German]
    • 5-Fluoracyl
    • 5-Fluoruracil [German]
    • Fluorouracilum (INN-Latin)
    • Fluorouracilo (INN-Spanish)
    • FLUOROURACIL (MART.)
    • FLUOROURACIL [MART.]
    • 1004-03-1
    • FLUOROURACIL (USP-RS)
    • FLUOROURACIL [USP-RS]
    • 5-FLUOROURACIL (IARC)
    • 5-FLUOROURACIL [IARC]
    • Flurablastin
    • FLUOROURACIL (EP MONOGRAPH)
    • FLUOROURACIL [EP MONOGRAPH]
    • FLUOROURACIL (USP MONOGRAPH)
    • FLUOROURACIL [USP MONOGRAPH]
    • CAS-51-21-8
    • Fluoroplex (TN)
    • 5-Fluor-2,4-pyrimidindiol [Czech]
    • Fluorouracil (USAN:USP:INN:BAN:JAN)
    • Adrucil (TN)
    • Carac (TN)
    • FLUCYTOSINE IMPURITY A (EP IMPURITY)
    • FLUCYTOSINE IMPURITY A [EP IMPURITY]
    • 5-Fluor-2,4-dihydroxypyrimidin [Czech]
    • SR-01000075881
    • 5-Fluor-2,4(1H,3H)-pyrimidindion [Czech]
    • inhibits thymilidate synthetase
    • AccuSite
    • 2,4-Dioxo-5-fluoropryimidine

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.24
    methanol 10.26
    isopropanol 1.74
    water 11.74
    ethyl acetate 0.47
    n-propanol 2.79
    acetone 2.57
    n-butanol 1.79
    acetonitrile 1.44
    DMF 11.04
    toluene 0.17
    isobutanol 1.33
    1,4-dioxane 1.53
    methyl acetate 1.16
    THF 2.01
    2-butanone 1.74
    n-pentanol 1.46
    sec-butanol 1.67
    n-hexane 0.12
    ethylene glycol 2.9
    NMP 13.32
    cyclohexane 0.08
    DMSO 44.22
    n-butyl acetate 0.64
    n-octanol 0.54
    chloroform 0.16
    n-propyl acetate 0.55
    acetic acid 1.57
    dichloromethane 0.46
    cyclohexanone 1.37
    propylene glycol 1.55
    isopropyl acetate 0.32
    DMAc 18.17
    2-ethoxyethanol 5.25
    isopentanol 1.4
    n-heptane 0.16
    ethyl formate 1.25
    1,2-dichloroethane 0.52
    n-hexanol 0.83
    2-methoxyethanol 7.18
    isobutyl acetate 0.18
    tetrachloromethane 0.07
    n-pentyl acetate 0.54
    transcutol 6.92
    n-heptanol 0.76
    ethylbenzene 0.17
    MIBK 0.56
    2-propoxyethanol 2.83
    tert-butanol 1.69
    MTBE 0.75
    2-butoxyethanol 2.84
    propionic acid 1.14
    o-xylene 0.28
    formic acid 2.8
    diethyl ether 0.88
    m-xylene 0.16
    p-xylene 0.23
    chlorobenzene 0.06
    dimethyl carbonate 0.72
    n-octane 0.06
    formamide 7.91
    cyclopentanone 1.63
    2-pentanone 0.98
    anisole 0.64
    cyclopentyl methyl ether 0.72
    gamma-butyrolactone 1.87
    1-methoxy-2-propanol 3.29
    pyridine 1.33
    3-pentanone 0.86
    furfural 2.78
    n-dodecane 0.04
    diethylene glycol 3.72
    diisopropyl ether 0.2
    tert-amyl alcohol 1.79
    acetylacetone 0.83
    n-hexadecane 0.04
    acetophenone 0.81
    methyl propionate 0.85
    isopentyl acetate 0.54
    trichloroethylene 0.3
    n-nonanol 0.55
    cyclohexanol 0.77
    benzyl alcohol 0.92
    2-ethylhexanol 0.51
    isooctanol 0.56
    dipropyl ether 0.79
    1,2-dichlorobenzene 0.08
    ethyl lactate 0.84
    propylene carbonate 0.64
    n-methylformamide 5.73
    2-pentanol 0.82
    n-pentane 0.14
    1-propoxy-2-propanol 1.81
    1-methoxy-2-propyl acetate 0.76
    2-(2-methoxypropoxy) propanol 3.44
    mesitylene 0.14
    ε-caprolactone 1.22
    p-cymene 0.24
    epichlorohydrin 1.56
    1,1,1-trichloroethane 0.11
    2-aminoethanol 4.03
    morpholine-4-carbaldehyde 6.5
    sulfolane 5.54
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 1.2
    n-hexyl acetate 0.56
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 3.56
    sec-butyl acetate 0.28
    tert-butyl acetate 0.39
    decalin 0.04
    glycerin 2.78
    diglyme 7.05
    acrylic acid 1.27
    isopropyl myristate 0.26
    n-butyric acid 0.74
    acetyl acetate 0.23
    di(2-ethylhexyl) phthalate 0.6
    ethyl propionate 0.52
    nitromethane 3.81
    1,2-diethoxyethane 1.16
    benzonitrile 0.48
    trioctyl phosphate 0.42
    1-bromopropane 0.38
    gamma-valerolactone 3.33
    n-decanol 0.44
    triethyl phosphate 0.61
    4-methyl-2-pentanol 0.48
    propionitrile 1.11
    vinylene carbonate 0.62
    1,1,2-trichlorotrifluoroethane 1.68
    DMS 0.49
    cumene 0.17
    2-octanol 0.42
    2-hexanone 0.93
    octyl acetate 0.4
    limonene 0.29
    1,2-dimethoxyethane 6.95
    ethyl orthosilicate 0.57
    tributyl phosphate 0.47
    diacetone alcohol 1.29
    N,N-dimethylaniline 1.05
    acrylonitrile 1.44
    aniline 0.53
    1,3-propanediol 3.45
    bromobenzene 0.04
    dibromomethane 0.31
    1,1,2,2-tetrachloroethane 0.34
    2-methyl-cyclohexyl acetate 0.52
    tetrabutyl urea 1.24
    diisobutyl methanol 0.39
    2-phenylethanol 0.66
    styrene 0.16
    dioctyl adipate 0.51
    dimethyl sulfate 1.93
    ethyl butyrate 0.65
    methyl lactate 1.34
    butyl lactate 0.98
    diethyl carbonate 0.53
    propanediol butyl ether 2.2
    triethyl orthoformate 0.72
    p-tert-butyltoluene 0.2
    methyl 4-tert-butylbenzoate 1.38
    morpholine 2.55
    tert-butylamine 0.91
    n-dodecanol 0.32
    dimethoxymethane 4.12
    ethylene carbonate 0.51
    cyrene 2.81
    2-ethoxyethyl acetate 0.83
    2-ethylhexyl acetate 0.44
    1,2,4-trichlorobenzene 0.13
    4-methylpyridine 1.07
    dibutyl ether 0.48
    2,6-dimethyl-4-heptanol 0.39
    DEF 2.79
    dimethyl isosorbide 3.25
    tetrachloroethylene 0.25
    eugenol 1.97
    triacetin 0.73
    span 80 1.5
    1,4-butanediol 2.14
    1,1-dichloroethane 0.19
    2-methyl-1-pentanol 1.13
    methyl formate 3.15
    2-methyl-1-butanol 1.47
    n-decane 0.07
    butyronitrile 0.95
    3,7-dimethyl-1-octanol 0.43
    1-chlorooctane 0.13
    1-chlorotetradecane 0.07
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.04
    cyclooctane 0.04
    cyclopentanol 1.0
    tetrahydropyran 0.84
    tert-amyl methyl ether 0.88
    2,5,8-trioxanonane 5.51
    1-hexene 0.29
    2-isopropoxyethanol 2.25
    2,2,2-trifluoroethanol 1.31
    methyl butyrate 0.89

    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