1,2,4-Triazole

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  • Identifiers

    CAS number
    288-88-0

    Molecular formula
    C2H3N3

    SMILES
    C1=NC=NN1

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Nutty 77.44%
    Roasted 57.53%
    Musty 55.5%
    Burnt 47.83%
    Sweet 44.63%
    Fishy 40.25%
    Meaty 36.61%
    Hazelnut 35.95%
    Coffee 35.2%
    Earthy 34.98%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.6

    Molecular weight
    69.07 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 120-121 °C

    Boiling point

    • 260 °C (decomposes)
    • 260 °C

    Flash point est.
    131.75 ˚C

    Flash point expt.

    • 170 °C closed cup
    • 170 °C c.c.

    Solubility expt.

    • Soluble in water, ethanol
    • Solubility in water, g/100ml at 20 °C: 125

  • Synonyms

    • 1,2,4-TRIAZOLE
    • 1H-1,2,4-Triazole
    • 288-88-0
    • 4H-1,2,4-triazole
    • Pyrrodiazole
    • s-Triazole
    • 63598-71-0
    • 1,2,4-1H-Triazole
    • MFCD00005228
    • 1H-1,2,4-triazol
    • 1,2,4 triazole
    • DTXSID6027131
    • 736917-78-5
    • 1H-[1,2,4]triazole
    • 10MS0Y1RDI
    • CHEBI:46077
    • NSC-83128
    • (1,2,4)-triazole
    • [1,2,4]-triazole
    • 1,2,4-Triazole-15N3
    • Triazole-[13C2,15N3]
    • 1,2,4-triazol
    • 4H-1,2,4-Triazole (VAN)
    • EINECS 206-022-9
    • NSC 83128
    • UNII-10MS0Y1RDI
    • AI3-51031
    • HSDB 7860
    • 1,4-Triazole
    • 1,2,4triazole
    • azole fungicide TP1
    • MFCD01941334
    • 1,3,4-triazole
    • 1H-1,4-Triazole
    • 4H-1,4-Triazole
    • [1,2,4]triazole
    • 1,2, 4-triazole
    • 1,2,4,-triazole
    • [1,2,4]triazol
    • [1.2.4]-triazole
    • 1, 2, 4 triazole
    • [1,2,4]-triazol
    • EC 206-022-9
    • 4H-[1,2,4]Triazole
    • 1H-[1,2,4]-triazole
    • CHEMBL15571
    • 1,2,4-Triazole, 98%
    • DTXCID207131
    • NIOSH/XZ3807000
    • CHEBI:35550
    • EFINACONAZOLE METABOLITE H1
    • BCP20885
    • CS-D1150
    • HY-Y0219
    • NSC83128
    • TRIAZOLE, 1H,1,2,4-
    • Tox21_300113
    • CGA-71019
    • STK366100
    • 1H-1,2,4-TRIAZOLE [MI]
    • AKOS000120326
    • AKOS000269054
    • 1H-1,2,4-TRIAZOLE [HSDB]
    • DB03594
    • FT31679
    • PS-9377
    • NCGC00247903-01
    • NCGC00254087-01
    • BP-12667
    • CAS-288-88-0
    • PD059596
    • SY001414
    • DB-002017
    • DB-180418
    • CS-0368547
    • NS00004235
    • T0340
    • XZ38070000
    • EN300-20608
    • E76126
    • 1,2,4-Triazole, Vetec(TM) reagent grade, 98%
    • Q161300
    • F1918-0085
    • Z104479156

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 241.02
    methanol 413.25
    isopropanol 167.11
    water 432.13
    ethyl acetate 30.39
    n-propanol 165.56
    acetone 176.52
    n-butanol 67.31
    acetonitrile 140.19
    DMF 1363.24
    toluene 5.95
    isobutanol 103.89
    1,4-dioxane 88.56
    methyl acetate 128.43
    THF 96.23
    2-butanone 111.6
    n-pentanol 45.74
    sec-butanol 90.9
    n-hexane 0.89
    ethylene glycol 388.15
    NMP 596.77
    cyclohexane 1.41
    DMSO 605.63
    n-butyl acetate 13.83
    n-octanol 11.37
    chloroform 21.58
    n-propyl acetate 19.09
    acetic acid 310.91
    dichloromethane 23.38
    cyclohexanone 50.88
    propylene glycol 309.53
    isopropyl acetate 13.11
    DMAc 974.14
    2-ethoxyethanol 158.9
    isopentanol 33.8
    n-heptane 1.68
    ethyl formate 29.05
    1,2-dichloroethane 19.58
    n-hexanol 22.68
    2-methoxyethanol 308.45
    isobutyl acetate 11.36
    tetrachloromethane 6.81
    n-pentyl acetate 10.46
    transcutol 121.71
    n-heptanol 13.94
    ethylbenzene 2.42
    MIBK 13.2
    2-propoxyethanol 95.65
    tert-butanol 99.22
    MTBE 28.05
    2-butoxyethanol 50.7
    propionic acid 177.74
    o-xylene 6.95
    formic acid 470.75
    diethyl ether 22.77
    m-xylene 5.39
    p-xylene 4.8
    chlorobenzene 7.42
    dimethyl carbonate 64.53
    n-octane 0.52
    formamide 457.94
    cyclopentanone 95.97
    2-pentanone 35.22
    anisole 16.21
    cyclopentyl methyl ether 33.25
    gamma-butyrolactone 112.91
    1-methoxy-2-propanol 181.36
    pyridine 73.48
    3-pentanone 41.14
    furfural 108.41
    n-dodecane 0.45
    diethylene glycol 141.71
    diisopropyl ether 4.27
    tert-amyl alcohol 64.97
    acetylacetone 31.69
    n-hexadecane 0.48
    acetophenone 22.79
    methyl propionate 74.52
    isopentyl acetate 10.39
    trichloroethylene 37.0
    n-nonanol 10.2
    cyclohexanol 36.56
    benzyl alcohol 33.15
    2-ethylhexanol 9.76
    isooctanol 9.78
    dipropyl ether 13.98
    1,2-dichlorobenzene 6.86
    ethyl lactate 30.0
    propylene carbonate 34.33
    n-methylformamide 463.49
    2-pentanol 29.6
    n-pentane 1.68
    1-propoxy-2-propanol 58.98
    1-methoxy-2-propyl acetate 26.35
    2-(2-methoxypropoxy) propanol 46.63
    mesitylene 3.14
    ε-caprolactone 41.1
    p-cymene 3.63
    epichlorohydrin 79.98
    1,1,1-trichloroethane 15.18
    2-aminoethanol 417.79
    morpholine-4-carbaldehyde 358.54
    sulfolane 159.15
    2,2,4-trimethylpentane 1.1
    2-methyltetrahydrofuran 54.57
    n-hexyl acetate 12.76
    isooctane 0.55
    2-(2-butoxyethoxy)ethanol 53.23
    sec-butyl acetate 9.1
    tert-butyl acetate 10.93
    decalin 0.7
    glycerin 394.72
    diglyme 95.2
    acrylic acid 240.2
    isopropyl myristate 4.36
    n-butyric acid 57.42
    acetyl acetate 15.58
    di(2-ethylhexyl) phthalate 10.53
    ethyl propionate 17.11
    nitromethane 392.38
    1,2-diethoxyethane 19.24
    benzonitrile 21.3
    trioctyl phosphate 6.46
    1-bromopropane 8.57
    gamma-valerolactone 141.88
    n-decanol 7.35
    triethyl phosphate 8.6
    4-methyl-2-pentanol 10.81
    propionitrile 72.36
    vinylene carbonate 37.19
    1,1,2-trichlorotrifluoroethane 168.82
    DMS 23.62
    cumene 2.37
    2-octanol 6.7
    2-hexanone 19.48
    octyl acetate 8.8
    limonene 5.84
    1,2-dimethoxyethane 107.29
    ethyl orthosilicate 7.78
    tributyl phosphate 6.97
    diacetone alcohol 35.79
    N,N-dimethylaniline 19.18
    acrylonitrile 124.07
    aniline 39.06
    1,3-propanediol 183.43
    bromobenzene 4.36
    dibromomethane 10.96
    1,1,2,2-tetrachloroethane 31.4
    2-methyl-cyclohexyl acetate 10.08
    tetrabutyl urea 14.82
    diisobutyl methanol 4.8
    2-phenylethanol 20.02
    styrene 3.61
    dioctyl adipate 9.71
    dimethyl sulfate 128.56
    ethyl butyrate 11.58
    methyl lactate 98.52
    butyl lactate 19.66
    diethyl carbonate 8.79
    propanediol butyl ether 60.12
    triethyl orthoformate 10.65
    p-tert-butyltoluene 3.46
    methyl 4-tert-butylbenzoate 21.82
    morpholine 180.7
    tert-butylamine 40.46
    n-dodecanol 5.61
    dimethoxymethane 170.0
    ethylene carbonate 25.87
    cyrene 61.44
    2-ethoxyethyl acetate 20.98
    2-ethylhexyl acetate 8.21
    1,2,4-trichlorobenzene 14.28
    4-methylpyridine 48.97
    dibutyl ether 5.47
    2,6-dimethyl-4-heptanol 4.8
    DEF 108.35
    dimethyl isosorbide 40.64
    tetrachloroethylene 23.91
    eugenol 31.71
    triacetin 25.3
    span 80 38.78
    1,4-butanediol 126.88
    1,1-dichloroethane 19.04
    2-methyl-1-pentanol 22.1
    methyl formate 206.65
    2-methyl-1-butanol 49.06
    n-decane 0.66
    butyronitrile 32.5
    3,7-dimethyl-1-octanol 8.54
    1-chlorooctane 2.59
    1-chlorotetradecane 1.23
    n-nonane 0.61
    undecane 0.53
    tert-butylcyclohexane 0.73
    cyclooctane 0.51
    cyclopentanol 80.98
    tetrahydropyran 40.0
    tert-amyl methyl ether 21.97
    2,5,8-trioxanonane 69.52
    1-hexene 3.47
    2-isopropoxyethanol 75.68
    2,2,2-trifluoroethanol 200.63
    methyl butyrate 23.15

    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