17-phenyl-trinor-PGF2alpha isopropyl ester

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  • Identifiers

    CAS number
    130209-76-6

    Molecular formula
    C26H38O5

    SMILES
    CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 42.49%
    Fruity 39.74%
    Floral 33.92%
    Balsamic 29.25%
    Herbal 28.55%
    Spicy 28.18%
    Oily 27.51%
    Peach 27.42%
    Jasmin 25.51%
    Tropical 24.04%

     

    Flavor
    Floral 42.64%
    Bitter 41.79%
    Fresh 30.01%
    Green 29.79%
    Sweet 28.45%
    Tropical 28.1%
    Herbal 27.65%
    Fruity 27.31%
    Mild 27.09%
    Oily 26.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.97 (neutral)

    Molecular weight
    430.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    932°C

    Flash point

    • 221.27 ˚C est.

  • Synonyms

    • 17-phenyl-trinor-PGF2alpha isopropyl ester
    • isopropyl 9S,11R,15S-trihydroxy-17-phenyl-18,19,20-trinor-5Z,13E-prostadienoate
    • RefChem:1057638
    • 130209-76-6
    • dehydrolatanoprost
    • Bimatoprost isopropyl ester
    • propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
    • PhDH 100A
    • 1IFH52MD8T
    • 17-Phenyl trinor Pgf2alpha-Ipr
    • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-, 1-methylethyl ester, (5Z)-
    • 17-Phenyl-18,19,20-trinor-pgf2alpha-1-isopropyl ester
    • 17-Phenyl trinor PGF2|A isopropyl ester
    • 17-phenyl-trinor-Prostaglandin F2alpha isopropyl ester
    • Phdh100A
    • 130273-87-9
    • UNII-1IFH52MD8T
    • Bimatoprost Acid Isopropyl Ester
    • 5-HEPTENOIC ACID, 7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((1E,3S)-3-HYDROXY-5-PHENYL-1-PENTEN-1-YL)CYCLOPENTYL)-, 1-METHYLETHYL ESTER, (5Z)-
    • PGF2Alpha,17-phenyl
    • orb1692443
    • SCHEMBL1954979
    • CHEMBL2111623
    • BDBM85339
    • CHEBI:137717
    • DTXSID801365461
    • HMS3648J18
    • 17-Phenyl-18,19,20-trinor-prostaglandin F2alpha-1-isopropyl ester
    • 17-PHENYLTRINORPGF2ALPHA-IPR
    • LMFA03010124
    • AKOS040756131
    • HY-116161A
    • (1R-(1alpha(Z),2beta(1E,3S*),3alpha,5alpha))-1-Methylethyl 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-5-heptenoate
    • Isopropyl (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((3S,E)-3-hydroxy-5-phenyl-pent-1-enyl)-cyclopentyl)-hept-5-enoate
    • isopropyl (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)cyclopentyl)hept-5-enoate
    • 17-phenyl trinor PGF2alpha isopropyl ester
    • CAS_130209-76-6
    • CS-0128707
    • H38901
    • SR-01000946519
    • 17-phenyl trinor Prostaglandin F2?? isopropyl ester
    • SR-01000946519-1
    • Q27252458
    • 17-PHENYL-18,19,20-TRINOR-PGF2.ALPHA.-1-ISOPROPYL ESTER
    • ISOPROPYL PHENYLHYDROXYPENTENE DIHYDROXYCYCLOPENTYLHEPTENATE
    • 5-HEPTENOIC ACID, 7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((1E,3S)-3-HYDROXY-5-PHENYL-1-PENTENYL)CYCLOPENTYL)-, 1-METHYLETHYL ESTER, (5Z)-
    • 5-HEPTENOIC ACID, 7-(3,5-DIHYDROXY-2-(3-HYDROXY-5-PHENYL-1-PENTENYL)CYCLOPENTYL)-, 1-METHYLETHYL ESTER, (1R-(1.ALPHA.(Z),2.BETA.(1E,3S*),3.ALPHA.,5.ALPHA.))-
    • 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-, 1-methylethyl ester, (1R-(1alpha(Z),2beta(1E,3S*),3alpha,5alpha))-
    • isopropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoate
    • PhDH 100A; 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]cyclopentyl]-, 1-methylethyl ester, (5Z)-; 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl]cyclopentyl]-, 1-methylethyl
    • 130209-76-6

  • Applications

    17-phenyl-trinor-PGF2alpha isopropyl ester (CAS 130209-76-6) is primarily used as a pharmaceutical research intermediate and a building block for prostaglandin analogue synthesis. In industry and academia it serves as a reagent and material for developing and optimizing synthetic routes to prostaglandin derivatives, including as an intermediate for higher-activity compounds. It is also employed as an analytical reference standard in pharmacology and analytical chemistry for LC/GC methods. The compound can function as a research tool in enzymology and prostaglandin receptor studies, and may be evaluated for use in specialty fine chemicals manufacturing under proper regulatory control.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.55
    methanol 79.94
    isopropanol 4.57
    water 0.28
    ethyl acetate 5.38
    n-propanol 13.7
    acetone 21.3
    n-butanol 9.99
    acetonitrile 3.33
    DMF 67.3
    toluene 3.5
    isobutanol 6.38
    1,4-dioxane 29.76
    methyl acetate 6.23
    THF 112.57
    2-butanone 13.43
    n-pentanol 9.87
    sec-butanol 5.62
    n-hexane 0.21
    ethylene glycol 4.2
    NMP 78.78
    cyclohexane 0.37
    DMSO 173.7
    n-butyl acetate 4.71
    n-octanol 7.1
    chloroform 28.41
    n-propyl acetate 5.63
    acetic acid 40.05
    dichloromethane 28.92
    cyclohexanone 40.19
    propylene glycol 9.83
    isopropyl acetate 4.64
    DMAc 140.01
    2-ethoxyethanol 45.24
    isopentanol 8.19
    n-heptane 0.23
    ethyl formate 8.83
    1,2-dichloroethane 13.97
    n-hexanol 7.21
    2-methoxyethanol 71.73
    isobutyl acetate 4.67
    tetrachloromethane 2.68
    n-pentyl acetate 9.37
    transcutol 143.8
    n-heptanol 8.08
    ethylbenzene 2.18
    MIBK 8.87
    2-propoxyethanol 42.09
    tert-butanol 5.87
    MTBE 4.24
    2-butoxyethanol 33.1
    propionic acid 12.39
    o-xylene 2.7
    formic acid 33.88
    diethyl ether 3.56
    m-xylene 2.63
    p-xylene 2.55
    chlorobenzene 5.51
    dimethyl carbonate 9.15
    n-octane 0.16
    formamide 37.9
    cyclopentanone 54.14
    2-pentanone 11.02
    anisole 9.79
    cyclopentyl methyl ether 15.28
    gamma-butyrolactone 50.59
    1-methoxy-2-propanol 42.04
    pyridine 18.63
    3-pentanone 8.21
    furfural 47.21
    n-dodecane 0.16
    diethylene glycol 30.28
    diisopropyl ether 0.99
    tert-amyl alcohol 6.99
    acetylacetone 20.95
    n-hexadecane 0.19
    acetophenone 13.55
    methyl propionate 8.72
    isopentyl acetate 7.05
    trichloroethylene 34.07
    n-nonanol 7.56
    cyclohexanol 8.45
    benzyl alcohol 14.03
    2-ethylhexanol 4.23
    isooctanol 6.61
    dipropyl ether 3.7
    1,2-dichlorobenzene 6.63
    ethyl lactate 9.64
    propylene carbonate 19.29
    n-methylformamide 27.79
    2-pentanol 3.12
    n-pentane 0.14
    1-propoxy-2-propanol 20.79
    1-methoxy-2-propyl acetate 14.97
    2-(2-methoxypropoxy) propanol 31.93
    mesitylene 1.57
    ε-caprolactone 31.76
    p-cymene 1.63
    epichlorohydrin 58.19
    1,1,1-trichloroethane 6.98
    2-aminoethanol 15.16
    morpholine-4-carbaldehyde 70.99
    sulfolane 104.72
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 20.65
    n-hexyl acetate 12.92
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 46.24
    sec-butyl acetate 4.04
    tert-butyl acetate 8.22
    decalin 0.38
    glycerin 24.09
    diglyme 80.81
    acrylic acid 15.31
    isopropyl myristate 4.12
    n-butyric acid 17.97
    acetyl acetate 6.46
    di(2-ethylhexyl) phthalate 9.53
    ethyl propionate 5.25
    nitromethane 49.65
    1,2-diethoxyethane 15.27
    benzonitrile 7.77
    trioctyl phosphate 5.63
    1-bromopropane 4.19
    gamma-valerolactone 94.06
    n-decanol 4.56
    triethyl phosphate 5.84
    4-methyl-2-pentanol 3.15
    propionitrile 3.69
    vinylene carbonate 20.55
    1,1,2-trichlorotrifluoroethane 69.08
    DMS 9.28
    cumene 1.78
    2-octanol 3.76
    2-hexanone 9.81
    octyl acetate 6.54
    limonene 2.36
    1,2-dimethoxyethane 49.88
    ethyl orthosilicate 6.04
    tributyl phosphate 6.07
    diacetone alcohol 21.44
    N,N-dimethylaniline 8.06
    acrylonitrile 6.26
    aniline 7.53
    1,3-propanediol 21.78
    bromobenzene 4.71
    dibromomethane 11.91
    1,1,2,2-tetrachloroethane 29.83
    2-methyl-cyclohexyl acetate 9.92
    tetrabutyl urea 9.9
    diisobutyl methanol 2.17
    2-phenylethanol 11.5
    styrene 2.36
    dioctyl adipate 10.5
    dimethyl sulfate 25.57
    ethyl butyrate 5.13
    methyl lactate 17.18
    butyl lactate 15.11
    diethyl carbonate 3.91
    propanediol butyl ether 31.73
    triethyl orthoformate 6.94
    p-tert-butyltoluene 1.54
    methyl 4-tert-butylbenzoate 21.44
    morpholine 42.18
    tert-butylamine 2.09
    n-dodecanol 2.8
    dimethoxymethane 49.24
    ethylene carbonate 15.17
    cyrene 42.84
    2-ethoxyethyl acetate 18.39
    2-ethylhexyl acetate 5.24
    1,2,4-trichlorobenzene 9.64
    4-methylpyridine 12.44
    dibutyl ether 4.69
    2,6-dimethyl-4-heptanol 2.17
    DEF 19.43
    dimethyl isosorbide 50.67
    tetrachloroethylene 20.57
    eugenol 25.52
    triacetin 23.0
    span 80 26.77
    1,4-butanediol 9.27
    1,1-dichloroethane 6.34
    2-methyl-1-pentanol 9.79
    methyl formate 19.84
    2-methyl-1-butanol 8.83
    n-decane 0.36
    butyronitrile 4.57
    3,7-dimethyl-1-octanol 5.53
    1-chlorooctane 2.32
    1-chlorotetradecane 0.72
    n-nonane 0.28
    undecane 0.23
    tert-butylcyclohexane 0.3
    cyclooctane 0.18
    cyclopentanol 10.54
    tetrahydropyran 16.49
    tert-amyl methyl ether 4.92
    2,5,8-trioxanonane 54.3
    1-hexene 1.15
    2-isopropoxyethanol 23.5
    2,2,2-trifluoroethanol 14.72
    methyl butyrate 8.39

    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
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Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
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Category 3
Products applied to the face/body using fingertips
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Products with significant anogenital exposure
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Category 4
Products related to fine fragrance
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Products with body and hand exposure, primarily rinse off
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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