3,5-Dimethylpyrazol-1-methanol

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  • Identifiers

    CAS number
    85264-33-1

    Molecular formula
    C6H10N2O

    SMILES
    CC1=CC(=NN1CO)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 51.55%
    Nutty 48.65%
    Odorless 39.98%
    Meaty 36.07%
    Cocoa 35.53%
    Hazelnut 33.85%
    Burnt 33.73%
    Chocolate 30.21%
    Popcorn 30.08%
    Earthy 29.78%

     

    Flavor
    Roasted 47.48%
    Coffee 36.65%
    Nutty 35.76%
    Roast 34.71%
    Bitter 33.83%
    Musty 33.11%
    Burnt 32.03%
    Meaty 31.56%
    Cocoa 30.99%
    Potato 29.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    5.47 (weak acid)

    Molecular weight
    126.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    221°C

    Flash point

    • 106.43 ˚C est.

  • Synonyms

    • 85264-33-1
    • (3,5-Dimethyl-1H-pyrazol-1-yl)methanol
    • 3,5-Dimethylpyrazole-1-methanol
    • Dimethyl hydroxymethyl pyrazole
    • 3,5-Dimethyl-1H-pyrazole-1-methanol
    • 1H-Pyrazole-1-methanol, 3,5-dimethyl-
    • 3,5-dimethylpyrazol-1-methanol
    • EINECS 286-553-0
    • 1-(hydroxymethyl)-3,5-dimethylpyrazole
    • DTXSID1032513
    • NSC 71880
    • NSC-71880
    • 968267D0AP
    • BUSAN 1504
    • DTXCID9012513
    • DIMETHYL-1-(HYDROXYMETHYL)PYRAZOLE
    • PYRAZOLE-1-METHANOL, 3,5-DIMETHYL-
    • N-(HYDROXYMETHYL)-3,5-DIMETHYLPYRAZOLE
    • 2-(HYDROXYMETHYL)-3,5-DIMETHYLPYRAZOLE
    • 3,5-DIMETHYL-1-(HYDROXYMETHYL)PYRAZOLE
    • RefChem:487047
    • DIMETHYL HYDROXYMETHYL PYRAZOLE [INCI]
    • 286-553-0
    • (3,5-dimethylpyrazol-1-yl)methanol
    • 3,5-Dimethyl-1-hydroxymethylpyrazole
    • MFCD00020738
    • 1-Hydroxymethyl-3,5-dimethylpyrazole
    • CHEMBL1828958
    • (3,5-dimethylpyrazolyl)methan-1-ol
    • UNII-968267D0AP
    • 3,5-Dimethyl pyrazole-1-carbinol
    • NSC71880
    • (3,5-dimethyl-pyrazol-1-yl)-methanol
    • 3,5-Dimethyl-1-(hydroxymethyl)-1H-pyrazole
    • SCHEMBL94392
    • SCHEMBL6742811
    • BB_SC-03922
    • Tox21_301192
    • BBL012456
    • BDBM50486775
    • EBC-13201
    • SBB004250
    • STK347697
    • AKOS000305985
    • 3,5-dimethyl-1H-pyrazolyl-1-methanol
    • AS-9411
    • 3,5-dimethyl-1H-pyrazole-1-ylmethanol
    • 3,5-Dimethylpyrazole-1-methanol, 99%
    • NCGC00248326-01
    • NCGC00255090-01
    • SY048657
    • (3,5-dimethyl-1H-pyrazol-1-yl)-methanol
    • CAS-85264-33-1
    • (3,5-Dimethyl-1H-pyrazol-1-yl)methanol #
    • CS-0221875
    • NS00013597
    • ST45138758
    • D90013
    • EN300-100417
    • Q27271883
    • Z1255427262
    • 85264-33-1

  • Applications

    3,5-Dimethylpyrazol-1-methanol (CAS 85264-33-1) is primarily used as an intermediate in the synthesis of pyrazole-containing compounds, including pharmaceutical candidates and agrochemical products; it also serves as a precursor for pyrazole derivatives employed as ligands in organic and metal-catalyzed processes; it acts as a building block for functional polymers and coatings incorporating the pyrazole motif; and it may be used as a research reagent for heterocyclic synthesis and the development of new pyrazole derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 526.35
    methanol 932.7
    isopropanol 341.61
    water 310.44
    ethyl acetate 93.6
    n-propanol 428.42
    acetone 186.92
    n-butanol 307.82
    acetonitrile 210.5
    DMF 373.82
    toluene 48.78
    isobutanol 298.66
    1,4-dioxane 291.4
    methyl acetate 106.65
    THF 361.49
    2-butanone 134.93
    n-pentanol 200.02
    sec-butanol 283.15
    n-hexane 16.92
    ethylene glycol 363.77
    NMP 276.52
    cyclohexane 11.55
    DMSO 485.18
    n-butyl acetate 53.69
    n-octanol 71.18
    chloroform 300.06
    n-propyl acetate 42.28
    acetic acid 274.24
    dichloromethane 359.0
    cyclohexanone 170.87
    propylene glycol 276.24
    isopropyl acetate 52.39
    DMAc 238.58
    2-ethoxyethanol 311.27
    isopentanol 199.73
    n-heptane 12.53
    ethyl formate 112.68
    1,2-dichloroethane 174.11
    n-hexanol 152.05
    2-methoxyethanol 563.38
    isobutyl acetate 34.77
    tetrachloromethane 69.08
    n-pentyl acetate 50.62
    transcutol 267.67
    n-heptanol 69.94
    ethylbenzene 24.18
    MIBK 70.62
    2-propoxyethanol 262.81
    tert-butanol 296.34
    MTBE 140.62
    2-butoxyethanol 120.25
    propionic acid 172.81
    o-xylene 41.84
    formic acid 401.03
    diethyl ether 139.65
    m-xylene 44.54
    p-xylene 35.15
    chlorobenzene 79.46
    dimethyl carbonate 46.71
    n-octane 6.48
    formamide 305.72
    cyclopentanone 213.03
    2-pentanone 114.79
    anisole 67.4
    cyclopentyl methyl ether 137.6
    gamma-butyrolactone 249.39
    1-methoxy-2-propanol 295.94
    pyridine 137.45
    3-pentanone 81.93
    furfural 243.53
    n-dodecane 6.41
    diethylene glycol 281.9
    diisopropyl ether 34.77
    tert-amyl alcohol 224.21
    acetylacetone 96.74
    n-hexadecane 6.93
    acetophenone 58.6
    methyl propionate 92.2
    isopentyl acetate 54.42
    trichloroethylene 246.89
    n-nonanol 57.63
    cyclohexanol 154.22
    benzyl alcohol 89.5
    2-ethylhexanol 68.75
    isooctanol 56.81
    dipropyl ether 54.52
    1,2-dichlorobenzene 73.09
    ethyl lactate 49.88
    propylene carbonate 113.24
    n-methylformamide 267.71
    2-pentanol 160.61
    n-pentane 20.78
    1-propoxy-2-propanol 130.97
    1-methoxy-2-propyl acetate 67.4
    2-(2-methoxypropoxy) propanol 89.12
    mesitylene 29.78
    ε-caprolactone 136.86
    p-cymene 26.62
    epichlorohydrin 287.22
    1,1,1-trichloroethane 137.2
    2-aminoethanol 456.35
    morpholine-4-carbaldehyde 259.67
    sulfolane 304.62
    2,2,4-trimethylpentane 15.31
    2-methyltetrahydrofuran 235.84
    n-hexyl acetate 74.65
    isooctane 10.26
    2-(2-butoxyethoxy)ethanol 119.85
    sec-butyl acetate 31.74
    tert-butyl acetate 63.52
    decalin 10.23
    glycerin 355.02
    diglyme 190.11
    acrylic acid 163.53
    isopropyl myristate 30.38
    n-butyric acid 176.35
    acetyl acetate 50.53
    di(2-ethylhexyl) phthalate 41.21
    ethyl propionate 46.65
    nitromethane 264.48
    1,2-diethoxyethane 76.38
    benzonitrile 89.41
    trioctyl phosphate 32.36
    1-bromopropane 120.82
    gamma-valerolactone 272.06
    n-decanol 43.06
    triethyl phosphate 33.71
    4-methyl-2-pentanol 84.94
    propionitrile 166.51
    vinylene carbonate 111.79
    1,1,2-trichlorotrifluoroethane 194.71
    DMS 51.72
    cumene 25.63
    2-octanol 52.26
    2-hexanone 60.68
    octyl acetate 39.38
    limonene 37.37
    1,2-dimethoxyethane 262.95
    ethyl orthosilicate 34.19
    tributyl phosphate 34.71
    diacetone alcohol 109.99
    N,N-dimethylaniline 56.16
    acrylonitrile 179.22
    aniline 99.87
    1,3-propanediol 400.2
    bromobenzene 65.04
    dibromomethane 229.49
    1,1,2,2-tetrachloroethane 188.95
    2-methyl-cyclohexyl acetate 44.83
    tetrabutyl urea 45.27
    diisobutyl methanol 38.89
    2-phenylethanol 76.68
    styrene 28.66
    dioctyl adipate 40.94
    dimethyl sulfate 95.72
    ethyl butyrate 42.33
    methyl lactate 89.52
    butyl lactate 51.09
    diethyl carbonate 32.44
    propanediol butyl ether 108.5
    triethyl orthoformate 38.5
    p-tert-butyltoluene 26.76
    methyl 4-tert-butylbenzoate 70.97
    morpholine 321.0
    tert-butylamine 180.99
    n-dodecanol 33.5
    dimethoxymethane 209.06
    ethylene carbonate 90.49
    cyrene 101.89
    2-ethoxyethyl acetate 64.99
    2-ethylhexyl acetate 43.02
    1,2,4-trichlorobenzene 86.91
    4-methylpyridine 134.92
    dibutyl ether 42.99
    2,6-dimethyl-4-heptanol 38.89
    DEF 123.28
    dimethyl isosorbide 126.35
    tetrachloroethylene 142.84
    eugenol 79.52
    triacetin 54.96
    span 80 75.91
    1,4-butanediol 228.31
    1,1-dichloroethane 172.34
    2-methyl-1-pentanol 146.21
    methyl formate 200.15
    2-methyl-1-butanol 224.89
    n-decane 9.77
    butyronitrile 157.98
    3,7-dimethyl-1-octanol 61.57
    1-chlorooctane 35.74
    1-chlorotetradecane 15.54
    n-nonane 9.41
    undecane 7.7
    tert-butylcyclohexane 12.93
    cyclooctane 5.41
    cyclopentanol 216.12
    tetrahydropyran 192.37
    tert-amyl methyl ether 107.55
    2,5,8-trioxanonane 135.95
    1-hexene 50.41
    2-isopropoxyethanol 161.39
    2,2,2-trifluoroethanol 135.69
    methyl butyrate 62.31

    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