Farnesylthiotriazole

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  • Identifiers

    CAS number
    156604-45-4

    Molecular formula
    C17H27N3S

    SMILES
    CC(=CCC/C(=C/CC/C(=C/CSC1=NC=NN1)/C)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 47.85%
    Floral 44.79%
    Green 40.45%
    Fresh 36.73%
    Citrus 33.21%
    Tropical 32.04%
    Meaty 29.62%
    Waxy 29.45%
    Roasted 29.43%
    Rose 26.55%

     

    Flavor
    Herbal 38.27%
    Wood 31.35%
    Woody 27.34%
    Balsam 26.85%
    Green 25.58%
    Diterpene 23.37%
    Low 23.07%
    Oriental 22.96%
    Opoponax 22.03%
    Delicate 21.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    7.9 (neutral)

    Molecular weight
    305.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    430°C

    Flash point

    • 212.15 ˚C est.

  • Synonyms

    • Farnesylthiotriazole
    • 156604-45-4
    • Farnesyl thiotriazole
    • S-Farnesyl-3-thio-1H-1,2,4-triazole
    • RefChem:139966
    • 5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-1H-1,2,4-triazole
    • ftt
    • orb1702284
    • SCHEMBL8036120
    • CHEBI:93695
    • GLXC-04364
    • HSCI1_000074
    • AKOS040746818
    • CS-0078070
    • BRD-K96402602-001-01-8
    • 1H-1,2,4-Triazole, 3-((3,7,11-trimethyl-2,6,10-dodecatrienyl)thio)-, (E,E)-
    • 1H-1,2,4-Triazole, 5-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]thio]-
    • 156604-45-4

  • Applications

    Farnesylthiotriazole (CAS 156604-45-4) is primarily used as an intermediate for the synthesis of farnesyl-containing heterocycles, supporting research and development in pharmaceuticals, agrochemicals, and materials. It may be evaluated as a corrosion-inhibiting additive for metal surfaces in industrial manufacturing, cooling systems, and coatings. It can also serve as a functional building block in polymer and coating formulations, providing a lipophilic tail and the heterocyclic moiety for targeted applications. As a precursor to specialty derivatives in chemical synthesis, it is commonly considered in R&D projects aiming to develop new products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.79
    methanol 38.56
    isopropanol 35.46
    water 0.03
    ethyl acetate 114.2
    n-propanol 51.81
    acetone 112.95
    n-butanol 63.94
    acetonitrile 20.34
    DMF 145.37
    toluene 91.16
    isobutanol 44.78
    1,4-dioxane 196.87
    methyl acetate 86.99
    THF 495.14
    2-butanone 163.96
    n-pentanol 70.89
    sec-butanol 57.21
    n-hexane 6.02
    ethylene glycol 2.66
    NMP 214.36
    cyclohexane 14.0
    DMSO 109.49
    n-butyl acetate 122.63
    n-octanol 38.33
    chloroform 305.19
    n-propyl acetate 123.08
    acetic acid 44.71
    dichloromethane 252.15
    cyclohexanone 274.81
    propylene glycol 14.25
    isopropyl acetate 92.83
    DMAc 388.71
    2-ethoxyethanol 116.72
    isopentanol 65.59
    n-heptane 6.52
    ethyl formate 48.71
    1,2-dichloroethane 139.46
    n-hexanol 63.39
    2-methoxyethanol 106.12
    isobutyl acetate 107.92
    tetrachloromethane 30.39
    n-pentyl acetate 104.42
    transcutol 552.72
    n-heptanol 43.06
    ethylbenzene 46.49
    MIBK 102.47
    2-propoxyethanol 130.87
    tert-butanol 53.96
    MTBE 105.72
    2-butoxyethanol 104.28
    propionic acid 33.45
    o-xylene 54.72
    formic acid 9.44
    diethyl ether 88.83
    m-xylene 59.18
    p-xylene 70.03
    chlorobenzene 103.88
    dimethyl carbonate 38.23
    n-octane 3.02
    formamide 16.6
    cyclopentanone 273.87
    2-pentanone 145.63
    anisole 118.08
    cyclopentyl methyl ether 209.26
    gamma-butyrolactone 204.74
    1-methoxy-2-propanol 111.53
    pyridine 164.68
    3-pentanone 120.56
    furfural 169.65
    n-dodecane 2.51
    diethylene glycol 51.74
    diisopropyl ether 30.09
    tert-amyl alcohol 69.72
    acetylacetone 145.43
    n-hexadecane 3.01
    acetophenone 133.85
    methyl propionate 94.47
    isopentyl acetate 130.35
    trichloroethylene 294.73
    n-nonanol 42.11
    cyclohexanol 80.56
    benzyl alcohol 88.16
    2-ethylhexanol 54.01
    isooctanol 41.92
    dipropyl ether 75.2
    1,2-dichlorobenzene 97.39
    ethyl lactate 49.87
    propylene carbonate 133.78
    n-methylformamide 29.87
    2-pentanol 47.71
    n-pentane 5.07
    1-propoxy-2-propanol 121.22
    1-methoxy-2-propyl acetate 146.26
    2-(2-methoxypropoxy) propanol 127.72
    mesitylene 32.2
    ε-caprolactone 213.1
    p-cymene 32.17
    epichlorohydrin 286.07
    1,1,1-trichloroethane 138.96
    2-aminoethanol 14.21
    morpholine-4-carbaldehyde 241.28
    sulfolane 230.41
    2,2,4-trimethylpentane 6.71
    2-methyltetrahydrofuran 282.06
    n-hexyl acetate 117.23
    isooctane 3.47
    2-(2-butoxyethoxy)ethanol 173.24
    sec-butyl acetate 99.84
    tert-butyl acetate 105.28
    decalin 9.22
    glycerin 19.32
    diglyme 313.73
    acrylic acid 24.41
    isopropyl myristate 48.79
    n-butyric acid 88.9
    acetyl acetate 64.41
    di(2-ethylhexyl) phthalate 58.29
    ethyl propionate 85.49
    nitromethane 72.54
    1,2-diethoxyethane 198.04
    benzonitrile 77.78
    trioctyl phosphate 34.91
    1-bromopropane 89.62
    gamma-valerolactone 347.47
    n-decanol 30.0
    triethyl phosphate 54.29
    4-methyl-2-pentanol 34.66
    propionitrile 33.67
    vinylene carbonate 99.0
    1,1,2-trichlorotrifluoroethane 159.0
    DMS 79.69
    cumene 35.44
    2-octanol 30.82
    2-hexanone 137.17
    octyl acetate 60.77
    limonene 50.91
    1,2-dimethoxyethane 215.89
    ethyl orthosilicate 59.08
    tributyl phosphate 43.72
    diacetone alcohol 111.31
    N,N-dimethylaniline 86.8
    acrylonitrile 31.22
    aniline 85.47
    1,3-propanediol 32.07
    bromobenzene 109.11
    dibromomethane 153.39
    1,1,2,2-tetrachloroethane 268.98
    2-methyl-cyclohexyl acetate 111.32
    tetrabutyl urea 65.23
    diisobutyl methanol 30.61
    2-phenylethanol 88.54
    styrene 57.73
    dioctyl adipate 83.7
    dimethyl sulfate 64.26
    ethyl butyrate 102.96
    methyl lactate 43.18
    butyl lactate 80.34
    diethyl carbonate 58.15
    propanediol butyl ether 90.22
    triethyl orthoformate 91.27
    p-tert-butyltoluene 29.59
    methyl 4-tert-butylbenzoate 102.21
    morpholine 259.45
    tert-butylamine 32.64
    n-dodecanol 21.98
    dimethoxymethane 140.69
    ethylene carbonate 87.91
    cyrene 133.78
    2-ethoxyethyl acetate 162.07
    2-ethylhexyl acetate 116.4
    1,2,4-trichlorobenzene 129.86
    4-methylpyridine 184.87
    dibutyl ether 70.32
    2,6-dimethyl-4-heptanol 30.61
    DEF 158.53
    dimethyl isosorbide 240.2
    tetrachloroethylene 152.36
    eugenol 102.5
    triacetin 131.18
    span 80 106.18
    1,4-butanediol 18.45
    1,1-dichloroethane 137.02
    2-methyl-1-pentanol 79.01
    methyl formate 26.15
    2-methyl-1-butanol 65.82
    n-decane 4.9
    butyronitrile 54.01
    3,7-dimethyl-1-octanol 45.52
    1-chlorooctane 30.31
    1-chlorotetradecane 10.81
    n-nonane 4.2
    undecane 3.34
    tert-butylcyclohexane 8.11
    cyclooctane 4.54
    cyclopentanol 73.23
    tetrahydropyran 257.93
    tert-amyl methyl ether 98.03
    2,5,8-trioxanonane 217.13
    1-hexene 36.94
    2-isopropoxyethanol 101.83
    2,2,2-trifluoroethanol 15.08
    methyl butyrate 126.54

    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