4-Hydroxypyrimidine

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    51953-17-4

    Molecular formula
    C4H4N2O

    SMILES
    C1=CN=CNC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Nutty 57.02%
    Burnt 47.68%
    Odorless 35.29%
    Roasted 30.83%
    Popcorn 28.59%
    Musty 28.34%
    Bitter 25.86%
    Pungent 24.62%
    Coffee 23.52%
    Almond 21.68%

    Scent© AI

  • Properties

    XLogP3-AA
    -1.4

    Molecular weight
    96.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point est.
    158.82 ˚C

  • Synonyms

    • 4-Hydroxypyrimidine
    • pyrimidin-4-ol
    • 4-Pyrimidinol
    • 4562-27-0
    • 51953-18-5
    • 4(3H)-Pyrimidinone
    • 51953-17-4
    • pyrimidin-4(3H)-one
    • 4(3H)-Pyrimidone
    • 4-Pyrimidone
    • 4-Pyrimidinone
    • pyrimidin-4(1H)-one
    • 4(1H)-PYRIMIDINONE
    • 4-Oxopyrimidine
    • Deaminoisocytosine
    • 542-27-8
    • 1H-pyrimidin-6-one
    • 4-Oxypyrimidine
    • 3H-Pyrimidin-4-one
    • 6-Hydroxypyrimidine
    • 1H-Pyrimidin-4-one
    • 3,4-dihydropyrimidin-4-one
    • 4-Pyrimidinol (VAN)
    • pyrimidin-4-one
    • NSC 1575
    • NSC 157911
    • EINECS 224-932-4
    • MFCD00038024
    • K43V90OY4L
    • AI3-52024
    • NSC-1575
    • MFCD00006664
    • NSC-157911
    • DTXSID5063524
    • Uraeil
    • UNII-K43V90OY4L
    • 4oxopyrimidine
    • 4pyrimidone
    • 4Oxypyrimidine
    • 4Pyrimidinone
    • 4Pyrimidinol
    • 1HPyrimidin4one
    • 3HPyrimidin4one
    • 6hydroxypyrimidine
    • 4(3h)pyrimidinone
    • 4(1H)Pyrimidinone
    • 4-hydroxy-pyrimidine
    • 4(3H-Pyrimidone)
    • 4Pyrimidinol (VAN)
    • 4-(lH)-pyrimidinone
    • pyrimidine-4(3h)-one
    • Pyrimidine, 4-hydroxy-
    • 4-OH-P
    • DTXCID2040442
    • DTXSID80966276
    • NSC1575
    • 4(3H)-Pyrimidinone, >=98%
    • BCP04213
    • BCP13987
    • BCP26608
    • AC-943
    • AC8519
    • MFCD00167178
    • NSC157911
    • STK409564
    • STL185515
    • AKOS001448755
    • AKOS009157155
    • AKOS015892532
    • AC-2727
    • FP57999
    • GS-5924
    • PB32093
    • SB10165
    • AC-25243
    • DA-42222
    • SY002707
    • SY046617
    • 4(3H)-Pyrimidinone, >=98.0% (NT)
    • DB-051325
    • DB-298939
    • CS-0019949
    • H1000
    • NS00049364
    • EN300-67372
    • O12062
    • AB00171795-03
    • AC-907/30002018
    • AC-907/34115014
    • A1-00389
    • Q17572767
    • F3329-0407
    • Z314605438
    • 4-Hydroxypyrimidine pound>>4-Pyrimidinol pound>>4(3)-Pyrimidone
    • InChI=1/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.58
    methanol 38.3
    isopropanol 6.44
    water 43.03
    ethyl acetate 2.19
    n-propanol 8.42
    acetone 3.93
    n-butanol 5.17
    acetonitrile 5.92
    DMF 174.08
    toluene 0.49
    isobutanol 5.13
    1,4-dioxane 3.0
    methyl acetate 4.86
    THF 10.33
    2-butanone 3.99
    n-pentanol 3.82
    sec-butanol 4.71
    n-hexane 0.08
    ethylene glycol 9.54
    NMP 114.67
    cyclohexane 0.05
    DMSO 57.98
    n-butyl acetate 1.8
    n-octanol 0.58
    chloroform 2.77
    n-propyl acetate 1.76
    acetic acid 25.4
    dichloromethane 3.77
    cyclohexanone 5.65
    propylene glycol 8.16
    isopropyl acetate 1.46
    DMAc 145.6
    2-ethoxyethanol 14.34
    isopentanol 4.37
    n-heptane 0.1
    ethyl formate 8.01
    1,2-dichloroethane 1.84
    n-hexanol 1.47
    2-methoxyethanol 34.99
    isobutyl acetate 1.04
    tetrachloromethane 0.77
    n-pentyl acetate 1.58
    transcutol 15.26
    n-heptanol 1.15
    ethylbenzene 0.26
    MIBK 1.75
    2-propoxyethanol 8.15
    tert-butanol 4.75
    MTBE 1.41
    2-butoxyethanol 6.96
    propionic acid 12.34
    o-xylene 0.65
    formic acid 57.1
    diethyl ether 1.0
    m-xylene 0.56
    p-xylene 0.54
    chlorobenzene 0.7
    dimethyl carbonate 4.71
    n-octane 0.03
    formamide 84.37
    cyclopentanone 11.85
    2-pentanone 2.41
    anisole 1.57
    cyclopentyl methyl ether 2.67
    gamma-butyrolactone 22.21
    1-methoxy-2-propanol 17.12
    pyridine 7.55
    3-pentanone 1.9
    furfural 29.39
    n-dodecane 0.03
    diethylene glycol 10.41
    diisopropyl ether 0.29
    tert-amyl alcohol 4.48
    acetylacetone 2.9
    n-hexadecane 0.03
    acetophenone 2.98
    methyl propionate 4.67
    isopentyl acetate 1.78
    trichloroethylene 3.75
    n-nonanol 0.59
    cyclohexanol 1.98
    benzyl alcohol 3.39
    2-ethylhexanol 0.87
    isooctanol 1.02
    dipropyl ether 0.99
    1,2-dichlorobenzene 0.95
    ethyl lactate 3.13
    propylene carbonate 9.08
    n-methylformamide 74.69
    2-pentanol 1.96
    n-pentane 0.09
    1-propoxy-2-propanol 4.95
    1-methoxy-2-propyl acetate 3.0
    2-(2-methoxypropoxy) propanol 6.85
    mesitylene 0.35
    ε-caprolactone 6.79
    p-cymene 0.45
    epichlorohydrin 11.82
    1,1,1-trichloroethane 1.11
    2-aminoethanol 20.22
    morpholine-4-carbaldehyde 44.86
    sulfolane 32.42
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 4.72
    n-hexyl acetate 1.17
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 6.99
    sec-butyl acetate 1.0
    tert-butyl acetate 1.38
    decalin 0.06
    glycerin 18.63
    diglyme 15.35
    acrylic acid 15.49
    isopropyl myristate 0.46
    n-butyric acid 10.44
    acetyl acetate 1.68
    di(2-ethylhexyl) phthalate 1.62
    ethyl propionate 1.66
    nitromethane 38.43
    1,2-diethoxyethane 1.82
    benzonitrile 3.53
    trioctyl phosphate 0.88
    1-bromopropane 0.87
    gamma-valerolactone 25.75
    n-decanol 0.43
    triethyl phosphate 1.62
    4-methyl-2-pentanol 1.16
    propionitrile 5.22
    vinylene carbonate 8.72
    1,1,2-trichlorotrifluoroethane 19.2
    DMS 1.72
    cumene 0.32
    2-octanol 0.51
    2-hexanone 1.7
    octyl acetate 0.73
    limonene 0.51
    1,2-dimethoxyethane 13.95
    ethyl orthosilicate 1.45
    tributyl phosphate 1.15
    diacetone alcohol 4.81
    N,N-dimethylaniline 2.43
    acrylonitrile 10.77
    aniline 3.05
    1,3-propanediol 16.13
    bromobenzene 0.43
    dibromomethane 1.54
    1,1,2,2-tetrachloroethane 2.9
    2-methyl-cyclohexyl acetate 1.42
    tetrabutyl urea 2.26
    diisobutyl methanol 0.65
    2-phenylethanol 1.85
    styrene 0.33
    dioctyl adipate 1.18
    dimethyl sulfate 13.63
    ethyl butyrate 1.83
    methyl lactate 8.44
    butyl lactate 3.18
    diethyl carbonate 1.51
    propanediol butyl ether 5.36
    triethyl orthoformate 1.79
    p-tert-butyltoluene 0.4
    methyl 4-tert-butylbenzoate 4.11
    morpholine 9.0
    tert-butylamine 1.96
    n-dodecanol 0.32
    dimethoxymethane 15.34
    ethylene carbonate 5.97
    cyrene 9.88
    2-ethoxyethyl acetate 2.71
    2-ethylhexyl acetate 1.32
    1,2,4-trichlorobenzene 1.48
    4-methylpyridine 7.26
    dibutyl ether 0.55
    2,6-dimethyl-4-heptanol 0.65
    DEF 13.99
    dimethyl isosorbide 8.95
    tetrachloroethylene 2.42
    eugenol 5.7
    triacetin 2.35
    span 80 3.84
    1,4-butanediol 7.0
    1,1-dichloroethane 1.29
    2-methyl-1-pentanol 3.32
    methyl formate 27.62
    2-methyl-1-butanol 4.63
    n-decane 0.04
    butyronitrile 4.6
    3,7-dimethyl-1-octanol 0.73
    1-chlorooctane 0.14
    1-chlorotetradecane 0.07
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.06
    cyclooctane 0.03
    cyclopentanol 4.68
    tetrahydropyran 1.8
    tert-amyl methyl ether 1.44
    2,5,8-trioxanonane 11.01
    1-hexene 0.3
    2-isopropoxyethanol 5.6
    2,2,2-trifluoroethanol 15.88
    methyl butyrate 3.2

    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

Botanical

Name CAS Botanical Proportion
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%