Nortafluprost

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  • Identifiers

    CAS number
    209860-89-9

    Molecular formula
    C24H32F2O5

    SMILES
    CCOC(=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

  • Odor profile

    Fragrance
    Odorless 33.98%
    Sweet 32.13%
    Floral 31.32%
    Fruity 28.93%
    Spicy 26.86%
    Fresh 26.68%
    Balsamic 26.32%
    Herbal 24.38%
    Woody 24.31%
    Jasmin 22.44%

     

    Flavor
    Bitter 54.29%
    Odorless 26.36%
    Mild 26.1%
    Bland 21.9%
    Floral 21.13%
    Cedarleaf 20.01%
    Fruity 19.93%
    Heather 19.76%
    Sweet-like 19.72%
    Sandalwood 19.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.4 (neutral)

    Molecular weight
    438.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    624°C

    Flash point

    • 186.36 ˚C est.

  • Synonyms

    • 209860-89-9
    • Nortafluprost
    • WE6T2PLV6M
    • AFP-175
    • RefChem:927932
    • Tafluprost ethyl ester
    • ethyl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
    • ethyl (Z)-7-((1R,2R,3R,5S)-2-((E)-3,3-difluoro-4-phenoxybut-1-en-1-yl)-3,5-dihydroxycyclopentyl)hept-5-enoate
    • AFP 175
    • Tafluprost Impurity 39
    • SCHEMBL9994486
    • SPWJIEVPQKMQPO-MSHHKXPZSA-N
    • C24H32F2O5
    • MSK2975-100M
    • HY-116733
    • CS-0066405
    • Tafluprost ethyl ester Solution in Methanol, 100ug/mL
    • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, ethyl ester, (5Z)-
    • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, ethyl ester, (5Z)-
    • ethyl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoate
    • ethyl (Z)-7-[2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
    • 209860-89-9

  • Applications

    Nortafluprost (CAS 209860-89-9) is primarily regarded as an intermediate and precursor in prostaglandin synthesis for pharmaceutical applications, supporting research and development of prostaglandin receptor agonist analogs; it is also used in analytical workflows and method validation for determining prostaglandin analogs in pharmaceutical laboratories; additionally, it can serve as a feedstock for manufacturing processes in industrial chemical synthesis within the pharmaceutical sector; and it may function as a reference material or synthesis aid for prostaglandin-related chemical production, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 188.54
    methanol 515.44
    isopropanol 63.83
    water 0.45
    ethyl acetate 73.54
    n-propanol 114.19
    acetone 235.82
    n-butanol 78.74
    acetonitrile 70.63
    DMF 326.8
    toluene 23.05
    isobutanol 52.02
    1,4-dioxane 177.22
    methyl acetate 84.02
    THF 511.4
    2-butanone 130.48
    n-pentanol 45.21
    sec-butanol 57.81
    n-hexane 1.05
    ethylene glycol 46.21
    NMP 325.66
    cyclohexane 2.88
    DMSO 1033.18
    n-butyl acetate 24.05
    n-octanol 20.41
    chloroform 192.28
    n-propyl acetate 34.45
    acetic acid 351.35
    dichloromethane 277.27
    cyclohexanone 198.91
    propylene glycol 56.81
    isopropyl acetate 38.66
    DMAc 435.69
    2-ethoxyethanol 170.3
    isopentanol 48.03
    n-heptane 1.28
    ethyl formate 75.82
    1,2-dichloroethane 140.87
    n-hexanol 25.62
    2-methoxyethanol 378.8
    isobutyl acetate 14.93
    tetrachloromethane 15.29
    n-pentyl acetate 30.93
    transcutol 348.44
    n-heptanol 21.78
    ethylbenzene 10.37
    MIBK 42.01
    2-propoxyethanol 114.18
    tert-butanol 51.02
    MTBE 31.69
    2-butoxyethanol 74.84
    propionic acid 105.64
    o-xylene 14.94
    formic acid 249.91
    diethyl ether 48.75
    m-xylene 11.43
    p-xylene 9.86
    chlorobenzene 27.02
    dimethyl carbonate 70.89
    n-octane 0.73
    formamide 340.33
    cyclopentanone 256.63
    2-pentanone 97.39
    anisole 45.06
    cyclopentyl methyl ether 74.36
    gamma-butyrolactone 272.83
    1-methoxy-2-propanol 194.5
    pyridine 130.73
    3-pentanone 70.46
    furfural 226.56
    n-dodecane 0.75
    diethylene glycol 107.2
    diisopropyl ether 6.92
    tert-amyl alcohol 47.4
    acetylacetone 157.15
    n-hexadecane 0.85
    acetophenone 54.32
    methyl propionate 86.2
    isopentyl acetate 22.45
    trichloroethylene 261.38
    n-nonanol 20.55
    cyclohexanol 60.14
    benzyl alcohol 53.96
    2-ethylhexanol 13.22
    isooctanol 15.75
    dipropyl ether 18.73
    1,2-dichlorobenzene 28.91
    ethyl lactate 39.22
    propylene carbonate 100.27
    n-methylformamide 220.04
    2-pentanol 29.98
    n-pentane 1.46
    1-propoxy-2-propanol 59.32
    1-methoxy-2-propyl acetate 55.31
    2-(2-methoxypropoxy) propanol 80.3
    mesitylene 5.85
    ε-caprolactone 159.39
    p-cymene 6.05
    epichlorohydrin 360.37
    1,1,1-trichloroethane 55.45
    2-aminoethanol 107.66
    morpholine-4-carbaldehyde 283.85
    sulfolane 411.36
    2,2,4-trimethylpentane 1.11
    2-methyltetrahydrofuran 136.91
    n-hexyl acetate 40.9
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 112.62
    sec-butyl acetate 20.06
    tert-butyl acetate 42.25
    decalin 1.56
    glycerin 106.31
    diglyme 228.98
    acrylic acid 115.79
    isopropyl myristate 14.59
    n-butyric acid 132.72
    acetyl acetate 59.53
    di(2-ethylhexyl) phthalate 24.19
    ethyl propionate 36.45
    nitromethane 462.02
    1,2-diethoxyethane 56.87
    benzonitrile 37.37
    trioctyl phosphate 15.84
    1-bromopropane 45.23
    gamma-valerolactone 407.36
    n-decanol 13.7
    triethyl phosphate 19.59
    4-methyl-2-pentanol 15.25
    propionitrile 46.16
    vinylene carbonate 97.3
    1,1,2-trichlorotrifluoroethane 270.05
    DMS 41.54
    cumene 6.4
    2-octanol 11.71
    2-hexanone 45.72
    octyl acetate 23.12
    limonene 10.03
    1,2-dimethoxyethane 210.25
    ethyl orthosilicate 18.39
    tributyl phosphate 17.72
    diacetone alcohol 86.08
    N,N-dimethylaniline 28.61
    acrylonitrile 71.15
    aniline 46.77
    1,3-propanediol 137.06
    bromobenzene 23.25
    dibromomethane 121.32
    1,1,2,2-tetrachloroethane 181.61
    2-methyl-cyclohexyl acetate 27.14
    tetrabutyl urea 29.84
    diisobutyl methanol 7.39
    2-phenylethanol 35.62
    styrene 13.21
    dioctyl adipate 32.6
    dimethyl sulfate 133.03
    ethyl butyrate 26.0
    methyl lactate 89.17
    butyl lactate 40.78
    diethyl carbonate 20.38
    propanediol butyl ether 67.49
    triethyl orthoformate 23.73
    p-tert-butyltoluene 5.19
    methyl 4-tert-butylbenzoate 59.14
    morpholine 239.57
    tert-butylamine 17.74
    n-dodecanol 9.27
    dimethoxymethane 288.87
    ethylene carbonate 79.73
    cyrene 101.45
    2-ethoxyethyl acetate 62.7
    2-ethylhexyl acetate 16.59
    1,2,4-trichlorobenzene 40.01
    4-methylpyridine 83.81
    dibutyl ether 18.43
    2,6-dimethyl-4-heptanol 7.39
    DEF 128.14
    dimethyl isosorbide 123.15
    tetrachloroethylene 112.13
    eugenol 61.69
    triacetin 71.49
    span 80 60.39
    1,4-butanediol 45.07
    1,1-dichloroethane 70.17
    2-methyl-1-pentanol 33.97
    methyl formate 156.29
    2-methyl-1-butanol 53.58
    n-decane 1.4
    butyronitrile 46.01
    3,7-dimethyl-1-octanol 15.84
    1-chlorooctane 8.65
    1-chlorotetradecane 3.06
    n-nonane 1.12
    undecane 0.99
    tert-butylcyclohexane 0.98
    cyclooctane 1.0
    cyclopentanol 75.7
    tetrahydropyran 127.22
    tert-amyl methyl ether 32.83
    2,5,8-trioxanonane 160.13
    1-hexene 6.23
    2-isopropoxyethanol 73.48
    2,2,2-trifluoroethanol 100.64
    methyl butyrate 53.45

    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