Pyrimidine, 2,4-diethoxy-5-methyl-

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  • Identifiers

    CAS number
    7193-87-5

    Molecular formula
    C9H14N2O2

    SMILES
    CCOC1=NC(=NC=C1C)OCC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 43.33%
    Earthy 40.93%
    Green 37.25%
    Nutty 34.31%
    Floral 33.15%
    Roasted 30.8%
    Herbal 30.14%
    Fruity 28.78%
    Spicy 27.75%
    Aromatic 25.08%

     

    Flavor
    Bitter 41.04%
    Earthy 36.08%
    Fruity 32.75%
    Green 29.06%
    Musty 27.38%
    Carrot 22.33%
    Parsley 21.57%
    Sweet 21.54%
    Green pepper 21.5%
    Hummus 21.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.96 (weak acid)

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 106.57 ˚C est.

  • Synonyms

    • 2,4-Diethoxy-5-methylpyrimidine
    • 7193-87-5
    • Pyrimidine, 2,4-diethoxy-5-methyl-
    • EINECS 230-558-2
    • DTXSID5064590
    • 2,4-diethoxy-5-methyl-pyrimidine
    • SCHEMBL1471867
    • CHEMBL4476418
    • DTXCID0047165
    • TQR0187
    • WXALIABDZXPJLE-UHFFFAOYSA-N
    • AKOS015917222
    • DB-289471
    • NS00044864
    • 230-558-2
    • Vethymine

  • Applications

    Pyrimidine, 2,4-diethoxy-5-methyl- (CAS 7193-87-5) serves as a versatile building block in heterocyclic chemistry and is commonly used as an intermediate in the synthesis of pharmaceutical candidates and other bioactive derivatives. Additional applications include as a precursor in agrochemical development, as a building block in polymer and plastics chemistry, and as a component for coatings and inks as well as for organic electronic materials in advanced devices.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 426.61
    methanol 493.07
    isopropanol 337.72
    water 0.8
    ethyl acetate 589.67
    n-propanol 357.13
    acetone 798.48
    n-butanol 358.31
    acetonitrile 427.65
    DMF 1169.34
    toluene 356.25
    isobutanol 325.4
    1,4-dioxane 717.26
    methyl acetate 537.96
    THF 1090.2
    2-butanone 579.8
    n-pentanol 292.45
    sec-butanol 371.68
    n-hexane 55.62
    ethylene glycol 126.05
    NMP 1087.01
    cyclohexane 121.24
    DMSO 861.14
    n-butyl acetate 405.35
    n-octanol 153.62
    chloroform 2053.01
    n-propyl acetate 338.3
    acetic acid 1029.53
    dichloromethane 1969.61
    cyclohexanone 972.03
    propylene glycol 164.82
    isopropyl acetate 341.82
    DMAc 1016.49
    2-ethoxyethanol 369.7
    isopentanol 326.09
    n-heptane 34.95
    ethyl formate 449.26
    1,2-dichloroethane 1051.54
    n-hexanol 275.31
    2-methoxyethanol 628.31
    isobutyl acetate 236.59
    tetrachloromethane 298.25
    n-pentyl acetate 266.66
    transcutol 537.21
    n-heptanol 146.56
    ethylbenzene 191.21
    MIBK 269.53
    2-propoxyethanol 392.06
    tert-butanol 446.18
    MTBE 450.1
    2-butoxyethanol 248.07
    propionic acid 477.3
    o-xylene 239.67
    formic acid 283.01
    diethyl ether 416.42
    m-xylene 225.92
    p-xylene 296.54
    chlorobenzene 594.3
    dimethyl carbonate 329.47
    n-octane 19.91
    formamide 335.4
    cyclopentanone 1020.27
    2-pentanone 472.75
    anisole 325.61
    cyclopentyl methyl ether 543.52
    gamma-butyrolactone 1160.32
    1-methoxy-2-propanol 459.67
    pyridine 865.94
    3-pentanone 416.1
    furfural 1040.46
    n-dodecane 19.58
    diethylene glycol 283.55
    diisopropyl ether 124.25
    tert-amyl alcohol 448.83
    acetylacetone 596.71
    n-hexadecane 22.58
    acetophenone 354.97
    methyl propionate 521.66
    isopentyl acetate 361.81
    trichloroethylene 2224.56
    n-nonanol 135.24
    cyclohexanol 496.76
    benzyl alcohol 326.89
    2-ethylhexanol 191.89
    isooctanol 128.19
    dipropyl ether 176.65
    1,2-dichlorobenzene 514.88
    ethyl lactate 183.74
    propylene carbonate 759.56
    n-methylformamide 494.57
    2-pentanol 264.68
    n-pentane 51.03
    1-propoxy-2-propanol 277.26
    1-methoxy-2-propyl acetate 328.18
    2-(2-methoxypropoxy) propanol 224.9
    mesitylene 138.0
    ε-caprolactone 790.33
    p-cymene 118.16
    epichlorohydrin 1198.81
    1,1,1-trichloroethane 1128.1
    2-aminoethanol 202.11
    morpholine-4-carbaldehyde 778.07
    sulfolane 1272.19
    2,2,4-trimethylpentane 46.34
    2-methyltetrahydrofuran 861.06
    n-hexyl acetate 362.49
    isooctane 25.37
    2-(2-butoxyethoxy)ethanol 267.47
    sec-butyl acetate 243.0
    tert-butyl acetate 337.7
    decalin 65.78
    glycerin 234.38
    diglyme 519.84
    acrylic acid 493.32
    isopropyl myristate 127.31
    n-butyric acid 685.13
    acetyl acetate 512.51
    di(2-ethylhexyl) phthalate 162.06
    ethyl propionate 326.58
    nitromethane 1103.45
    1,2-diethoxyethane 265.4
    benzonitrile 469.4
    trioctyl phosphate 120.8
    1-bromopropane 568.75
    gamma-valerolactone 1083.29
    n-decanol 98.48
    triethyl phosphate 158.66
    4-methyl-2-pentanol 150.66
    propionitrile 374.5
    vinylene carbonate 697.16
    1,1,2-trichlorotrifluoroethane 912.95
    DMS 320.11
    cumene 128.16
    2-octanol 119.41
    2-hexanone 336.32
    octyl acetate 182.64
    limonene 177.18
    1,2-dimethoxyethane 608.96
    ethyl orthosilicate 150.94
    tributyl phosphate 151.01
    diacetone alcohol 345.22
    N,N-dimethylaniline 241.67
    acrylonitrile 508.99
    aniline 418.73
    1,3-propanediol 335.89
    bromobenzene 686.37
    dibromomethane 1240.29
    1,1,2,2-tetrachloroethane 1729.9
    2-methyl-cyclohexyl acetate 238.86
    tetrabutyl urea 179.01
    diisobutyl methanol 104.76
    2-phenylethanol 279.52
    styrene 264.06
    dioctyl adipate 195.09
    dimethyl sulfate 470.24
    ethyl butyrate 274.16
    methyl lactate 275.27
    butyl lactate 204.69
    diethyl carbonate 215.13
    propanediol butyl ether 220.47
    triethyl orthoformate 199.02
    p-tert-butyltoluene 115.47
    methyl 4-tert-butylbenzoate 273.32
    morpholine 749.71
    tert-butylamine 257.94
    n-dodecanol 77.67
    dimethoxymethane 623.36
    ethylene carbonate 573.65
    cyrene 277.66
    2-ethoxyethyl acetate 301.91
    2-ethylhexyl acetate 295.6
    1,2,4-trichlorobenzene 609.44
    4-methylpyridine 862.76
    dibutyl ether 170.4
    2,6-dimethyl-4-heptanol 104.76
    DEF 637.47
    dimethyl isosorbide 374.63
    tetrachloroethylene 1119.83
    eugenol 267.66
    triacetin 294.18
    span 80 229.6
    1,4-butanediol 160.75
    1,1-dichloroethane 1031.57
    2-methyl-1-pentanol 302.53
    methyl formate 478.04
    2-methyl-1-butanol 351.6
    n-decane 29.15
    butyronitrile 443.53
    3,7-dimethyl-1-octanol 149.0
    1-chlorooctane 126.0
    1-chlorotetradecane 55.56
    n-nonane 27.96
    undecane 22.93
    tert-butylcyclohexane 54.68
    cyclooctane 35.42
    cyclopentanol 511.2
    tetrahydropyran 791.35
    tert-amyl methyl ether 365.53
    2,5,8-trioxanonane 345.35
    1-hexene 181.36
    2-isopropoxyethanol 269.0
    2,2,2-trifluoroethanol 341.97
    methyl butyrate 460.59

    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