2,5,6-Triamino-4-pyrimidinol sulfate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    35011-47-3

    Molecular formula
    C4H9N5O5S

    SMILES
    C1(=C(N=C(NC1=O)N)N)N.OS(=O)(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 75.24%
    Bitter 20.34%
    Burnt 19.92%
    Fishy 16.9%
    Savory 16.81%
    Cooked 16.72%
    Animal 16.44%
    Meaty 15.82%
    Cheesy 15.49%
    Ripe 14.42%

     

    Flavor
    Bitter 74.52%
    Odorless 44.21%
    Mild 28.61%
    Bread crust 20.49%
    Nitrile 20.29%
    Sweet-like 20.06%
    Bland 20.05%
    Scallion 19.96%
    Formyl 19.81%
    Rotten 19.79%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.5 (neutral)

    Molecular weight
    239.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    451°C

    Flash point

    • 270.76 ˚C est.

  • Synonyms

    • 2,4,5-Triamino-6-hydroxypyrimidine Sulfate
    • 6-Hydroxy-2,4,5-triaminopyrimidine sulfate
    • 2,5,6-Triaminopyrimidin-4(1H)-one sulphate
    • 4(1H)-Pyrimidinone, 2,5,6-triamino-, sulfate
    • 2,5,6-triamino-4-pyrimidinol sulfate
    • 9SZ7ZX1H0L
    • EINECS 254-393-0
    • RefChem:444011
    • 2,5,6-triamino-4-hydroxypyrimidine sulfate
    • 4-hydroxy-2,5,6-triamino-pyrimidin-sulfat
    • 4-hydroxy-2,5,6-triaminopyrimidine sulfate
    • 2,5,6-TRIAMINO-4-PYRIMIDINOL SULFATE [INCI]
    • 4(3H)-PYRIMIDINONE, 2,5,6-TRIAMINO-, SULFATE
    • 35011-47-3
    • 39267-74-8
    • 2,5,6-Triaminopyrimidin-4(3H)-one sulfate
    • 2,5,6-Triaminopyrimidin-4-ol sulfate
    • 2,5,6-Triaminopyrimidin-4(3H)-one xsulfate
    • C4H9N5O5S
    • 2,5,6-triaminopyrimidin-4(1H)-one sulfate
    • MFCD27664806
    • sulfuric acid; triaminopyrimidin-4-ol
    • 4(1H)-Pyrimidinone, 2,5,6-triamino-, sulfate (1:1) (9CI)
    • sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one
    • sulfuric acid;2,5,6-triamino-1H-pyrimidin-4-one
    • 2,5,6-Triaminopyrimidin-4(3H)-one sulfate(1:x)
    • sulfuric acid; 2,5,6-triamino-1H-pyrimidin-4-one
    • NSC-167378
    • UNII-9SZ7ZX1H0L
    • sulfuric acid; 2,5,6-tris(azanyl)-1H-pyrimidin-4-one
    • 2,5,6-triamino-1H-pyrimidin-4-one sulfate
    • 4-Hydroxy-2,5,6-triaminopyrimidine sulfate salt
    • 2,5,6-Triaminopyrimidin-4(1H)-one Sulphate; Folic Acid Imp. B (EP) as Sulphate; Folic Acid Hydrate Impurity B as Sulfate; Folic Acid Impurity B as Sulfate
    • MFCD00012785
    • NSC167378
    • Folic Acid Impurity 26
    • SCHEMBL94088
    • MLS004491787
    • 4(1H)-Pyrimidinone, 2,5,6-triamino-, sulfate (1:1)
    • SCHEMBL21495047
    • SCHEMBL29368323
    • DTXSID80192518
    • RSKNEEODWFLVFF-UHFFFAOYSA-N
    • 2,6-Triamino-4-pyrimidol sulfate
    • BB_SC-06563
    • AC-520
    • MFCD23099603
    • 2,5,6-Triamino-4-pyrimidol sulfate
    • AKOS015892548
    • AKOS016000226
    • AKOS028108637
    • FT12125
    • SB55494
    • SB58650
    • AS-13421
    • SMR003288737
    • SY042304
    • 2,5,6-Triamino-4-pyrimidol sulfate salt
    • 2,5,6-Triaminopyrimidin-4(3H)-onesulfate
    • DB-048712
    • DB-049396
    • CS-0033764
    • NS00081337
    • ST50411704
    • T0335
    • EN300-159790
    • F13341
    • G67128
    • 2,5,6-TRIAMINO-4(1H)-PYRIMIDINONESULFATE
    • A822504
    • A824496
    • F317846
    • 2,5,6-Triamino-4(1H)-pyrimidinone sulfate (1:1)
    • 4(1H)-Pyrimidinone,5,6-triamino-, sulfate (1:1)
    • Q27273115
    • 4(3H)-Pyrimidinone, 2,5,6-triamino-, sulfate (1:1)
    • Sulfuric acid--2,5,6-triaminopyrimidin-4(1H)-one (1/1)
    • 4-Hydroxy-2,5,6-triaminopyrimidine sulfate salt, technical, >=97.0% (T)
    • 2050525-14-7
    • 39267-74-8

  • Applications

    Chemical name: 2,5,6-Triamino-4-pyrimidinol sulfate (CAS 35011-47-3) is primarily used as an organic synthesis intermediate in the preparation of heterocyclic pyrimidinyl compounds for pharmaceutical and agrochemical research. The sulfate salt enhances water solubility, facilitating aqueous-process synthesis and formulation. It is also evaluated as a dye/pigment precursor or functional intermediate for specialty coatings and inks. Additionally, the compound serves as a building block in exploratory chemical programs and may be used in polymer and coating formulations where amino-functionalization is desired. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.17
    methanol 0.32
    isopropanol 0.1
    water 0.7
    ethyl acetate 0.04
    n-propanol 0.13
    acetone 0.07
    n-butanol 0.13
    acetonitrile 0.03
    DMF 1.16
    toluene 0.01
    isobutanol 0.08
    1,4-dioxane 0.04
    methyl acetate 0.04
    THF 0.72
    2-butanone 0.11
    n-pentanol 0.1
    sec-butanol 0.1
    n-hexane 0.01
    ethylene glycol 0.54
    NMP 4.37
    cyclohexane 0.0
    DMSO 10.3
    n-butyl acetate 0.14
    n-octanol 0.06
    chloroform 0.02
    n-propyl acetate 0.04
    acetic acid 0.46
    dichloromethane 0.02
    cyclohexanone 0.18
    propylene glycol 0.53
    isopropyl acetate 0.03
    DMAc 2.2
    2-ethoxyethanol 0.61
    isopentanol 0.13
    n-heptane 0.01
    ethyl formate 0.13
    1,2-dichloroethane 0.02
    n-hexanol 0.16
    2-methoxyethanol 1.72
    isobutyl acetate 0.03
    tetrachloromethane 0.02
    n-pentyl acetate 0.1
    transcutol 0.42
    n-heptanol 0.15
    ethylbenzene 0.01
    MIBK 0.1
    2-propoxyethanol 1.21
    tert-butanol 0.14
    MTBE 0.03
    2-butoxyethanol 0.81
    propionic acid 0.19
    o-xylene 0.02
    formic acid 2.16
    diethyl ether 0.03
    m-xylene 0.02
    p-xylene 0.02
    chlorobenzene 0.01
    dimethyl carbonate 0.09
    n-octane 0.0
    formamide 1.62
    cyclopentanone 0.63
    2-pentanone 0.11
    anisole 0.03
    cyclopentyl methyl ether 0.14
    gamma-butyrolactone 0.91
    1-methoxy-2-propanol 1.06
    pyridine 0.07
    3-pentanone 0.07
    furfural 1.27
    n-dodecane 0.0
    diethylene glycol 1.82
    diisopropyl ether 0.01
    tert-amyl alcohol 0.16
    acetylacetone 0.12
    n-hexadecane 0.0
    acetophenone 0.06
    methyl propionate 0.09
    isopentyl acetate 0.16
    trichloroethylene 0.04
    n-nonanol 0.06
    cyclohexanol 0.07
    benzyl alcohol 0.06
    2-ethylhexanol 0.11
    isooctanol 0.12
    dipropyl ether 0.1
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.2
    propylene carbonate 0.31
    n-methylformamide 0.63
    2-pentanol 0.07
    n-pentane 0.0
    1-propoxy-2-propanol 0.82
    1-methoxy-2-propyl acetate 0.25
    2-(2-methoxypropoxy) propanol 0.62
    mesitylene 0.01
    ε-caprolactone 0.22
    p-cymene 0.03
    epichlorohydrin 0.4
    1,1,1-trichloroethane 0.02
    2-aminoethanol 0.65
    morpholine-4-carbaldehyde 1.28
    sulfolane 4.93
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.19
    n-hexyl acetate 0.08
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.61
    sec-butyl acetate 0.02
    tert-butyl acetate 0.07
    decalin 0.0
    glycerin 2.49
    diglyme 0.89
    acrylic acid 0.29
    isopropyl myristate 0.04
    n-butyric acid 0.25
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.13
    ethyl propionate 0.05
    nitromethane 0.45
    1,2-diethoxyethane 0.07
    benzonitrile 0.04
    trioctyl phosphate 0.11
    1-bromopropane 0.02
    gamma-valerolactone 1.26
    n-decanol 0.05
    triethyl phosphate 0.14
    4-methyl-2-pentanol 0.06
    propionitrile 0.04
    vinylene carbonate 0.18
    1,1,2-trichlorotrifluoroethane 1.56
    DMS 0.06
    cumene 0.01
    2-octanol 0.07
    2-hexanone 0.09
    octyl acetate 0.06
    limonene 0.04
    1,2-dimethoxyethane 0.51
    ethyl orthosilicate 0.12
    tributyl phosphate 0.11
    diacetone alcohol 0.49
    N,N-dimethylaniline 0.06
    acrylonitrile 0.08
    aniline 0.05
    1,3-propanediol 0.75
    bromobenzene 0.01
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.05
    2-methyl-cyclohexyl acetate 0.11
    tetrabutyl urea 0.21
    diisobutyl methanol 0.09
    2-phenylethanol 0.12
    styrene 0.01
    dioctyl adipate 0.06
    dimethyl sulfate 0.65
    ethyl butyrate 0.11
    methyl lactate 0.52
    butyl lactate 0.34
    diethyl carbonate 0.07
    propanediol butyl ether 0.61
    triethyl orthoformate 0.13
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.34
    morpholine 0.13
    tert-butylamine 0.05
    n-dodecanol 0.03
    dimethoxymethane 0.43
    ethylene carbonate 0.11
    cyrene 1.15
    2-ethoxyethyl acetate 0.13
    2-ethylhexyl acetate 0.11
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.09
    dibutyl ether 0.04
    2,6-dimethyl-4-heptanol 0.09
    DEF 0.23
    dimethyl isosorbide 1.16
    tetrachloroethylene 0.05
    eugenol 0.47
    triacetin 0.11
    span 80 0.4
    1,4-butanediol 0.26
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.09
    methyl formate 0.37
    2-methyl-1-butanol 0.12
    n-decane 0.0
    butyronitrile 0.06
    3,7-dimethyl-1-octanol 0.06
    1-chlorooctane 0.01
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.18
    tetrahydropyran 0.03
    tert-amyl methyl ether 0.06
    2,5,8-trioxanonane 0.73
    1-hexene 0.02
    2-isopropoxyethanol 0.25
    2,2,2-trifluoroethanol 0.56
    methyl butyrate 0.09

    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