3,5-Dimethylpyrazole

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  • Identifiers

    CAS number
    67-51-6

    Molecular formula
    C5H8N2

    SMILES
    CC1=CC(=NN1)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Roasted 75.69%
    Nutty 74.71%
    Cocoa 59.2%
    Hazelnut 56.69%
    Coffee 55.91%
    Burnt 52.03%
    Earthy 50.63%
    Musty 49.85%
    Chocolate 45.66%
    Meaty 45.6%

     

    Flavor
    Cocoa 61.35%
    Nutty 53.22%
    Roasted 52.19%
    Coffee 50.35%
    Musty 40.4%
    Roast 36.89%
    Potato 35.9%
    Peanut 34.79%
    Hazelnut 34.38%
    Woody 34.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.38 (weak acid)

    Molecular weight
    96.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    202°C

    Flash point

    • 85.23 ˚C est.

  • Synonyms

    • 3,5-Dimethylpyrazole
    • 67-51-6
    • 1H-Pyrazole, 3,5-dimethyl-
    • PYRAZOLE, 3,5-DIMETHYL-
    • 3,5 DMP
    • TH 564
    • U 6245
    • H21N865K9J
    • NSC-8729
    • TRIXENE DP 8692
    • DTXSID5058777
    • TH-564
    • U-6245
    • RefChem:91615
    • DTXCID1044853
    • 200-657-5
    • 3,5-Dimethyl-1H-pyrazole
    • MFCD00005243
    • 3,5-Dwumetylopirazolu
    • NSC 8729
    • 3,5-dimethyl pyrazole
    • 3,5-Dwumetylopirazolu [Polish]
    • EINECS 200-657-5
    • BRN 0106325
    • dimethylpyrazole
    • UNII-H21N865K9J
    • Pyrazole,5-dimethyl-
    • 1H-Pyrazole,5-dimethyl-
    • 3,5-dimethyl-1H-pyrazol
    • EC 200-657-5
    • SCHEMBL1503
    • SCHEMBL45155
    • 1(H)-3,5-Dimethylpyrazole
    • 5-23-05-00110 (Beilstein Handbook Reference)
    • 3,5-Dimethylpyrazole, 99%
    • SCHEMBL294275
    • SCHEMBL317612
    • orb2943075
    • orb3023401
    • QSPL 007
    • SCHEMBL1197050
    • SCHEMBL4488583
    • CHEMBL1828957
    • SCHEMBL28429244
    • SDXAWLJRERMRKF-UHFFFAOYSA-
    • NSC8729
    • CHEBI:229331
    • BB_SC-02785
    • SBB004377
    • STK299969
    • AKOS000120332
    • AS-5542
    • FD45132
    • SB16017
    • NCGC00342010-01
    • SY001302
    • DB-304254
    • D1647
    • NS00007733
    • ST45154848
    • EN300-16235
    • P19711
    • AB00374449-03
    • AC-907/34116050
    • AE-848/32586026
    • F037857
    • Q17122069
    • Z50145988
    • F1982-0002
    • InChI=1/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
    • 3,5-Dimethylpyrazole, produced by Wacker Chemie AG, Burghausen, Germany, >=99.0% (GC)
    • 67-51-6

  • Applications

    3,5-Dimethylpyrazole (CAS 67-51-6) is primarily used as a precursor for the synthesis of other pyrazole derivatives in pharmaceutical and agrochemical development, and serves as a building block in organic synthesis for advanced materials. In industrial chemistry, it may be used as a solvent or co-solvent in certain reaction systems, and is explored as a precursor for functionalized pyrazole-containing polymers and coatings in research and development settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 299.47
    methanol 386.24
    isopropanol 237.04
    water 85.52
    ethyl acetate 122.97
    n-propanol 231.4
    acetone 176.1
    n-butanol 230.1
    acetonitrile 99.34
    DMF 243.48
    toluene 69.15
    isobutanol 218.28
    1,4-dioxane 206.93
    methyl acetate 141.91
    THF 285.74
    2-butanone 165.36
    n-pentanol 192.9
    sec-butanol 217.47
    n-hexane 49.45
    ethylene glycol 152.26
    NMP 313.53
    cyclohexane 26.05
    DMSO 179.96
    n-butyl acetate 93.31
    n-octanol 100.89
    chloroform 266.9
    n-propyl acetate 68.94
    acetic acid 238.49
    dichloromethane 222.9
    cyclohexanone 171.01
    propylene glycol 166.31
    isopropyl acetate 82.74
    DMAc 302.93
    2-ethoxyethanol 239.04
    isopentanol 205.09
    n-heptane 30.38
    ethyl formate 99.59
    1,2-dichloroethane 113.57
    n-hexanol 185.83
    2-methoxyethanol 331.18
    isobutyl acetate 58.06
    tetrachloromethane 76.18
    n-pentyl acetate 76.69
    transcutol 426.56
    n-heptanol 91.48
    ethylbenzene 37.82
    MIBK 91.14
    2-propoxyethanol 264.45
    tert-butanol 237.56
    MTBE 177.79
    2-butoxyethanol 152.44
    propionic acid 166.18
    o-xylene 55.93
    formic acid 202.4
    diethyl ether 158.86
    m-xylene 55.59
    p-xylene 52.3
    chlorobenzene 81.18
    dimethyl carbonate 61.22
    n-octane 13.51
    formamide 150.66
    cyclopentanone 201.02
    2-pentanone 131.54
    anisole 90.8
    cyclopentyl methyl ether 158.51
    gamma-butyrolactone 202.37
    1-methoxy-2-propanol 240.96
    pyridine 118.91
    3-pentanone 112.08
    furfural 190.73
    n-dodecane 12.67
    diethylene glycol 231.41
    diisopropyl ether 57.1
    tert-amyl alcohol 226.44
    acetylacetone 118.58
    n-hexadecane 13.32
    acetophenone 76.92
    methyl propionate 116.27
    isopentyl acetate 90.13
    trichloroethylene 189.96
    n-nonanol 88.24
    cyclohexanol 145.62
    benzyl alcohol 95.55
    2-ethylhexanol 103.33
    isooctanol 74.74
    dipropyl ether 91.52
    1,2-dichlorobenzene 76.28
    ethyl lactate 57.33
    propylene carbonate 120.84
    n-methylformamide 144.79
    2-pentanol 163.1
    n-pentane 46.26
    1-propoxy-2-propanol 178.61
    1-methoxy-2-propyl acetate 103.8
    2-(2-methoxypropoxy) propanol 133.17
    mesitylene 35.82
    ε-caprolactone 157.12
    p-cymene 35.75
    epichlorohydrin 207.98
    1,1,1-trichloroethane 135.72
    2-aminoethanol 230.18
    morpholine-4-carbaldehyde 258.37
    sulfolane 208.74
    2,2,4-trimethylpentane 30.97
    2-methyltetrahydrofuran 238.46
    n-hexyl acetate 113.6
    isooctane 19.74
    2-(2-butoxyethoxy)ethanol 174.64
    sec-butyl acetate 57.66
    tert-butyl acetate 94.16
    decalin 21.63
    glycerin 204.08
    diglyme 226.34
    acrylic acid 149.39
    isopropyl myristate 50.02
    n-butyric acid 162.55
    acetyl acetate 75.48
    di(2-ethylhexyl) phthalate 60.95
    ethyl propionate 68.48
    nitromethane 200.24
    1,2-diethoxyethane 134.72
    benzonitrile 79.16
    trioctyl phosphate 42.58
    1-bromopropane 110.6
    gamma-valerolactone 248.16
    n-decanol 67.68
    triethyl phosphate 45.64
    4-methyl-2-pentanol 100.57
    propionitrile 94.07
    vinylene carbonate 105.54
    1,1,2-trichlorotrifluoroethane 185.56
    DMS 75.44
    cumene 36.87
    2-octanol 64.35
    2-hexanone 93.82
    octyl acetate 67.2
    limonene 56.16
    1,2-dimethoxyethane 220.33
    ethyl orthosilicate 47.96
    tributyl phosphate 54.17
    diacetone alcohol 125.19
    N,N-dimethylaniline 75.47
    acrylonitrile 89.61
    aniline 103.17
    1,3-propanediol 227.64
    bromobenzene 68.25
    dibromomethane 155.56
    1,1,2,2-tetrachloroethane 162.62
    2-methyl-cyclohexyl acetate 68.54
    tetrabutyl urea 65.53
    diisobutyl methanol 55.15
    2-phenylethanol 96.5
    styrene 44.65
    dioctyl adipate 63.57
    dimethyl sulfate 90.51
    ethyl butyrate 64.73
    methyl lactate 86.86
    butyl lactate 69.85
    diethyl carbonate 46.37
    propanediol butyl ether 138.82
    triethyl orthoformate 56.47
    p-tert-butyltoluene 34.89
    methyl 4-tert-butylbenzoate 89.28
    morpholine 228.07
    tert-butylamine 174.65
    n-dodecanol 53.2
    dimethoxymethane 171.96
    ethylene carbonate 92.61
    cyrene 116.99
    2-ethoxyethyl acetate 102.85
    2-ethylhexyl acetate 74.19
    1,2,4-trichlorobenzene 96.25
    4-methylpyridine 140.97
    dibutyl ether 85.43
    2,6-dimethyl-4-heptanol 55.15
    DEF 149.31
    dimethyl isosorbide 154.72
    tetrachloroethylene 120.62
    eugenol 94.06
    triacetin 97.01
    span 80 113.6
    1,4-butanediol 152.51
    1,1-dichloroethane 144.06
    2-methyl-1-pentanol 180.38
    methyl formate 114.49
    2-methyl-1-butanol 220.78
    n-decane 19.19
    butyronitrile 113.29
    3,7-dimethyl-1-octanol 99.95
    1-chlorooctane 52.29
    1-chlorotetradecane 25.66
    n-nonane 18.98
    undecane 15.03
    tert-butylcyclohexane 26.05
    cyclooctane 11.88
    cyclopentanol 176.4
    tetrahydropyran 182.22
    tert-amyl methyl ether 152.67
    2,5,8-trioxanonane 174.12
    1-hexene 95.32
    2-isopropoxyethanol 170.99
    2,2,2-trifluoroethanol 125.09
    methyl butyrate 85.01

    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