Tafluprost

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  • Identifiers

    CAS number
    209860-87-7

    Molecular formula
    C25H34F2O5

    SMILES
    CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COC2=CC=CC=C2)(F)F)O)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 36.52%
    Sweet 27.23%
    Floral 27.07%
    Fruity 26.6%
    Herbal 25.64%
    Spicy 24.11%
    Woody 24.09%
    Balsamic 23.93%
    Cooling 23.12%
    Fresh 23.06%

     

    Flavor
    Bitter 54.86%
    Odorless 26.57%
    Mild 26.12%
    Bland 22.35%
    Cedarleaf 19.91%
    Herbal 19.67%
    Heather 19.48%
    Sweet-like 19.29%
    Nitrile 19.23%
    Sandalwood 19.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    6.55 (neutral)

    Molecular weight
    452.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 87.5 °C

    Boiling point

    • 100°C

    Flash point

    • 183.44 ˚C est.

    Solubility expt.

    • Insoluble
    • 5.28e-03 g/L

  • Synonyms

    • Tafluprost
    • 209860-87-7
    • AFP-168
    • Taflotan
    • Zioptan
    • Saflutan
    • MK-2452
    • 1O6WQ6T7G3
    • CHEBI:66899
    • DTXSID401021504
    • MK2452
    • propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl]hept-5-enoate
    • tafluprostum
    • tafluprost opthalmic
    • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, 1-methylethyl ester, (5Z)-
    • ISOPROPYL (5Z)-7-((1R,2R,3R,5S)-2-((1E)-3,3-DIFLUORO-4-PHENOXYBUT-1-ENYL)-3,5-DIHYDROXYCYCLOPENTYL)HEPT-5-ENOATE
    • Isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-((1E)-3,3-difluoro-4-phenoxybut-1-enyl)-3,5-dihydroxycyclopentyl}hept-5-enoate
    • propan-2-yl (5Z)-7-((1R,2R,3R,5S)-2-((1E)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate
    • propan-2-yl (Z)-7-((1R,2R,3R,5S)-2-((E)-3,3-difluoro-4-(phenoxy)but-1-enyl)-3,5-dihydroxycyclopentyl)hept-5-enoate
    • propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-(phenoxy)but-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
    • Tafluprost Ophthalmic
    • RefChem:57842
    • S01EE05
    • DTXCID601506522
    • 5-Heptenoic acid, 7-((1R,2R,3R,5S)-2-((1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5-dihydroxycyclopentyl)-, 1-methylethyl ester, (5Z)-
    • 1-methylethyl (5Z)-7-((1R,2R, 3R,5S)-2-((1E)-3,3-difluoro-4-phenoxy-1-butenyl)-3,5-dihydroxycyclopentyl)-5-heptenoate
    • (Z)-isopropyl 7-((1R,2R,3R,5S)-2-((E)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate
    • C25H34F2O5
    • MFCD08062150
    • Tapros
    • isopropyl (5Z)-7-{(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxybut-1-en-1-yl]-3,5-dihydroxycyclopentyl}hept-5-enoate
    • isopropyl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoate
    • propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
    • Zioptan (TN)
    • Tafluprost?
    • Tafluprost [INN]
    • DE-085
    • TAFLUPROST [MI]
    • TAFLUPROST [JAN]
    • TAFLUPROST [USAN]
    • TAFLUPROST [VANDF]
    • TAFLUPROST [MART.]
    • TAFLUPROST [WHO-DD]
    • UNII-1O6WQ6T7G3
    • Tafluprost (JAN/USAN/INN)
    • Tafluprost [USAN:INN:BAN]
    • GTPL7451
    • SCHEMBL1286148
    • CHEMBL1963683
    • TAFLUPROST [ORANGE BOOK]
    • EX-A564
    • TafluprostMK2452, AFP-168
    • HMS3649F04
    • (5Z)-7-[(1R,2R,3R,5S)-2-[(1E)-3,3-Difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid 1-methylethyl ester
    • HY-B0600
    • MSK15027
    • DE-118
    • EBC-27132
    • s4851
    • AKOS025294885
    • CCG-269257
    • DB08819
    • AS-75193
    • FT103897
    • SY338882
    • NS00001192
    • D06274
    • 860T877
    • EN300-21680961
    • SR-01000946707
    • Q2139543
    • SR-01000946707-1
    • Z2568721846
    • (Z)-isopropyl 7-((1R,2R,3R,5S)-2-((E)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-3,5-dihydroxy cyclopentyl)hept-5-enoate
    • (Z)-isopropyl7-((1R,2R,3R,5S)-2-((E)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate
    • 1-methylethyl (5Z)-7-((1R,2R, 3R,5S)-2-((1E)-3,3-difluoro-4-phenoxy -1-butenyl-3,5-dihydroxycyclopentyl)-5-heptenoate
    • 1-methylethyl (5Z)-7-{(1R,2R,3R,5S)-2-((1E)-3,3-difluoro-4-phenoxybut-1-enyl)-3,5- dihydroxycyclopentyl}hept-5-enoate
    • 5-Heptenoic acid, 7-((1R,2R,3R,5S)-2-((1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl)-3,5- dihydroxycyclopentyl)-, 1-methylethyl ester, (5Z)-
    • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, 1-methylethyl ester, (5Z)-
    • Isopropyl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-Difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-5-heptenoate
    • 209860-87-7

  • Applications

    Tafluprost (CAS 209860-87-7) is primarily used as an active pharmaceutical ingredient in ophthalmic solutions to reduce intraocular pressure in glaucoma and ocular hypertension. In pharmaceutical development, it serves as the prostaglandin F2α analogue around which eye-drop formulations and related ophthalmic products are designed. It is commonly evaluated in ocular pharmacology research and formulation optimization, with use governed by local regulatory requirements and stringent quality controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 208.25
    methanol 562.61
    isopropanol 63.24
    water 0.47
    ethyl acetate 64.69
    n-propanol 124.85
    acetone 224.72
    n-butanol 83.44
    acetonitrile 62.54
    DMF 343.78
    toluene 21.85
    isobutanol 55.98
    1,4-dioxane 160.32
    methyl acetate 74.36
    THF 505.68
    2-butanone 126.64
    n-pentanol 49.02
    sec-butanol 60.47
    n-hexane 1.16
    ethylene glycol 44.19
    NMP 360.11
    cyclohexane 2.5
    DMSO 871.28
    n-butyl acetate 24.97
    n-octanol 21.8
    chloroform 185.95
    n-propyl acetate 33.96
    acetic acid 341.53
    dichloromethane 252.73
    cyclohexanone 194.46
    propylene glycol 61.39
    isopropyl acetate 34.99
    DMAc 437.33
    2-ethoxyethanol 166.95
    isopentanol 48.32
    n-heptane 1.23
    ethyl formate 75.73
    1,2-dichloroethane 125.63
    n-hexanol 27.81
    2-methoxyethanol 368.61
    isobutyl acetate 15.62
    tetrachloromethane 14.89
    n-pentyl acetate 32.35
    transcutol 323.95
    n-heptanol 23.29
    ethylbenzene 10.54
    MIBK 42.3
    2-propoxyethanol 121.97
    tert-butanol 48.6
    MTBE 30.34
    2-butoxyethanol 80.5
    propionic acid 109.85
    o-xylene 14.15
    formic acid 242.24
    diethyl ether 45.65
    m-xylene 11.3
    p-xylene 9.97
    chlorobenzene 26.19
    dimethyl carbonate 61.98
    n-octane 0.68
    formamide 308.72
    cyclopentanone 256.28
    2-pentanone 94.08
    anisole 41.98
    cyclopentyl methyl ether 73.06
    gamma-butyrolactone 274.03
    1-methoxy-2-propanol 192.98
    pyridine 124.21
    3-pentanone 67.38
    furfural 224.83
    n-dodecane 0.69
    diethylene glycol 109.23
    diisopropyl ether 6.23
    tert-amyl alcohol 47.73
    acetylacetone 139.33
    n-hexadecane 0.78
    acetophenone 53.35
    methyl propionate 79.08
    isopentyl acetate 23.42
    trichloroethylene 240.69
    n-nonanol 21.76
    cyclohexanol 57.69
    benzyl alcohol 52.56
    2-ethylhexanol 13.87
    isooctanol 16.54
    dipropyl ether 18.79
    1,2-dichlorobenzene 28.07
    ethyl lactate 39.91
    propylene carbonate 103.5
    n-methylformamide 227.22
    2-pentanol 29.69
    n-pentane 1.49
    1-propoxy-2-propanol 62.39
    1-methoxy-2-propyl acetate 55.57
    2-(2-methoxypropoxy) propanol 82.96
    mesitylene 5.6
    ε-caprolactone 163.47
    p-cymene 5.88
    epichlorohydrin 338.07
    1,1,1-trichloroethane 50.54
    2-aminoethanol 114.75
    morpholine-4-carbaldehyde 281.83
    sulfolane 412.99
    2,2,4-trimethylpentane 1.11
    2-methyltetrahydrofuran 134.31
    n-hexyl acetate 43.29
    isooctane 0.52
    2-(2-butoxyethoxy)ethanol 115.11
    sec-butyl acetate 19.57
    tert-butyl acetate 39.23
    decalin 1.48
    glycerin 105.63
    diglyme 221.26
    acrylic acid 116.77
    isopropyl myristate 14.64
    n-butyric acid 134.04
    acetyl acetate 50.6
    di(2-ethylhexyl) phthalate 25.73
    ethyl propionate 35.12
    nitromethane 419.67
    1,2-diethoxyethane 53.1
    benzonitrile 35.55
    trioctyl phosphate 16.67
    1-bromopropane 44.4
    gamma-valerolactone 417.36
    n-decanol 14.08
    triethyl phosphate 19.34
    4-methyl-2-pentanol 15.27
    propionitrile 44.76
    vinylene carbonate 98.34
    1,1,2-trichlorotrifluoroethane 263.37
    DMS 38.54
    cumene 6.43
    2-octanol 12.37
    2-hexanone 47.59
    octyl acetate 23.63
    limonene 9.71
    1,2-dimethoxyethane 200.38
    ethyl orthosilicate 18.45
    tributyl phosphate 18.51
    diacetone alcohol 82.82
    N,N-dimethylaniline 28.5
    acrylonitrile 66.74
    aniline 43.5
    1,3-propanediol 133.5
    bromobenzene 21.9
    dibromomethane 113.46
    1,1,2,2-tetrachloroethane 168.02
    2-methyl-cyclohexyl acetate 28.43
    tetrabutyl urea 31.15
    diisobutyl methanol 7.21
    2-phenylethanol 36.08
    styrene 12.63
    dioctyl adipate 33.1
    dimethyl sulfate 120.32
    ethyl butyrate 26.01
    methyl lactate 86.27
    butyl lactate 43.77
    diethyl carbonate 19.44
    propanediol butyl ether 72.26
    triethyl orthoformate 23.83
    p-tert-butyltoluene 5.01
    methyl 4-tert-butylbenzoate 60.5
    morpholine 232.8
    tert-butylamine 16.88
    n-dodecanol 9.23
    dimethoxymethane 273.26
    ethylene carbonate 78.01
    cyrene 104.88
    2-ethoxyethyl acetate 62.65
    2-ethylhexyl acetate 17.38
    1,2,4-trichlorobenzene 38.94
    4-methylpyridine 82.77
    dibutyl ether 18.27
    2,6-dimethyl-4-heptanol 7.21
    DEF 122.41
    dimethyl isosorbide 127.13
    tetrachloroethylene 104.6
    eugenol 63.03
    triacetin 70.61
    span 80 63.18
    1,4-butanediol 45.81
    1,1-dichloroethane 63.79
    2-methyl-1-pentanol 36.11
    methyl formate 153.02
    2-methyl-1-butanol 56.0
    n-decane 1.33
    butyronitrile 45.32
    3,7-dimethyl-1-octanol 16.55
    1-chlorooctane 8.83
    1-chlorotetradecane 2.92
    n-nonane 1.1
    undecane 0.92
    tert-butylcyclohexane 0.98
    cyclooctane 0.87
    cyclopentanol 74.97
    tetrahydropyran 118.56
    tert-amyl methyl ether 31.9
    2,5,8-trioxanonane 153.09
    1-hexene 6.77
    2-isopropoxyethanol 73.57
    2,2,2-trifluoroethanol 94.01
    methyl butyrate 52.43

    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