Diethylstilbestrol Dipropionate

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  • Identifiers

    CAS number
    130-80-3

    Molecular formula
    C24H28O4

    SMILES
    CC/C(=C(/CC)\C1=CC=C(C=C1)OC(=O)CC)/C2=CC=C(C=C2)OC(=O)CC

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 59.62%
    Animal 39.43%
    Fruity 38.46%
    Honey 35.29%
    Balsamic 34.21%
    Powdery 33.88%
    Woody 32.35%
    Sweet 31.5%
    Dry 30.05%
    Musk 29.57%

     

    Flavor
    Bitter 39.8%
    Woody 28.79%
    Floral 27.35%
    Herbal 25.53%
    Balsam 21.32%
    Broom 20.69%
    Heather 20.54%
    Genet 20.44%
    Odorless 20.29%
    Parsley 20.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.19 (neutral)

    Molecular weight
    380.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    376°C

    Melting point expt.

    • 219 °F (NTP, 1992)

    Flash point

    • 206.1 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)

  • Synonyms

    • Diethylstilbestrol dipropionate
    • 130-80-3
    • Dibestil
    • Clinestrol
    • Stilbestronate
    • Estilben
    • Euvestin
    • Stilbofax
    • Stilronate
    • synTestrine
    • Willestrol
    • Orestol
    • Stilboestrol dp
    • Pabestrol D
    • Estrobene DP
    • Cyren B
    • Estrogenin
    • Estrostilben
    • Oestrogynaedron
    • synOestron
    • synTestrin
    • Vetoestrol
    • Estilbin
    • Gynolett
    • Horfemine
    • Sinciclan
    • Stilbestrol dipropionate
    • Tauripar b
    • Estroben DF
    • Neo-oestranol II
    • Diethylstilbestrol propionate
    • DESD
    • Stilbestrol propionate
    • New-oestranol II
    • Stilbestrol, diethyl dipropionate
    • Dihydroxydiethylstilbene dipropionate
    • Y98CK3J0OL
    • DTXSID7047146
    • Stilboestrol dipropionate
    • 4,4'-Stilbenediol, alpha,alpha'-diethyl-, dipropionate, (E)-
    • trans-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol dipropionate
    • p,p'-Dipropionoxy-trans-alpha,beta-diethylstilbene
    • alpha,alpha'-Diethyl-4,4'-stilbenediol dipropionyl ester
    • DTXCID5027146
    • Diethyldioxystilbene dipropionate
    • RefChem:133528
    • alpha,alpha'-Diethyl-4,4'-stilbenediol dipropionate
    • 204-995-4
    • Dipropionato de estilbene
    • MLS000028439
    • Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, dipropanoate, (E)-
    • SMR000058362
    • [4-[(E)-4-(4-propanoyloxyphenyl)hex-3-en-3-yl]phenyl] propanoate
    • Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-, dipropanoate
    • Hex-3-ene-3,4-diylbis(4,1-phenylene) dipropionate
    • Phenol, 4,4'-((1E)-1,2-diethyl-1,2-ethenediyl)bis-, dipropanoate
    • Phenol,4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-, 1,1'-propanoate
    • CCRIS 241
    • Diethylstilboestrol dipropionate
    • 37221-14-0
    • Dipropionato de estilbene [Spanish]
    • EINECS 204-995-4
    • 4,4'-((1E)-1,2-Diethyl-1,2-ethenediyl)bisphenol
    • UNII-Y98CK3J0OL
    • BRN 2632126
    • Diethylstilbesterol dipropionate
    • Neo-oestranol ll
    • New-oestranol ll
    • New-oestranol 11
    • Diethylstilbestrol dipropionate [NF]
    • alpha,alpha'-Diethyl-4,4'-stilbenediol, dipropionate
    • 4,4'-Stilbenediol, alpha,alpha'-diethyl-, dipropionate, trans-
    • Opera_ID_1581
    • 4-06-00-06857 (Beilstein Handbook Reference)
    • MLS001077279
    • SCHEMBL151730
    • cid_657220
    • orb1697443
    • CHEMBL1525298
    • BDBM40489
    • (3E)-hex-3-ene-3,4-diyldibenzene-4,1-diyl dipropanoate
    • VZMLEMYJUIIHNF-QURGRASLSA-N
    • HMS2230H18
    • Tox21_302713
    • STK366319
    • AKOS003382207
    • NCGC00018162-03
    • NCGC00256886-01
    • AS-85541
    • CAS-130-80-3
    • DIETHYLSTILBESTROL DIPROPIONATE [MI]
    • NS00020983
    • DIETHYLSTILBESTROL PROPIONATE [WHO-DD]
    • (E)-3,4-Diphenyl-3-hexene p,p'-dipropionate
    • DIETHYLSTILBESTROL DIPROPIONATE [MART.]
    • H57968
    • SR-01000003053
    • SR-01000003053-3
    • Q27294402
    • p,p'-Dipropionoxy-trans-.alpha.,.beta.-diethylstilbene
    • (3E)-hex-3-ene-3,4-diylbis(4,1-phenylene) dipropanoate
    • [(3E)-Hex-3-ene-3,4-diyl]di(4,1-phenylene) dipropanoate
    • .alpha.,.alpha.'-Diethyl-4,4'-stilbenediol trans-dipropionate
    • .alpha.,.alpha.'-Diethyl-p,p'-stilbenediol dipropionate, (E)-
    • trans-.alpha.,.alpha.'-Diethyl-4,4'-stilbenediol dipropionate
    • .alpha.,.alpha.'-Diethyl-4,4'-stilbenediol dipropionate, (E)-
    • 4,4'-Dihydroxy-.alpha.,.beta.-diethylstilbene dipropionate, (E)-
    • 4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-, dipropionate, (E)-
    • .alpha.,.alpha.'-Diethyl-4,4'-stilbenediol dipropionyl ester, (E)-
    • 4,4'-Stilbenediol, .alpha.,.alpha.'-diethyl-, dipropionate, trans-
    • 4-((1E)-1-Ethyl-2-[4-(propionyloxy)phenyl]-1-butenyl)phenyl propionate #
    • Diethylstilbestrol dipropionate, analytical standard, for drug analysis
    • propanoic acid [4-[(E)-4-[4-(1-oxopropoxy)phenyl]hex-3-en-3-yl]phenyl] ester
    • propionic acid [4-[(E)-1-ethyl-2-(4-propionyloxyphenyl)but-1-enyl]phenyl] ester
    • 130-80-3

  • Applications

    Diethylstilbestrol Dipropionate, CAS 130-80-3, is primarily encountered as an intermediate in the synthesis of estrogenic compounds and their derivatives. In pharmaceutical research and development, it is used as a precursor for long-acting estrogen derivatives and as a substrate for structure–activity investigations of estrogen receptors. It also appears in academic and industrial research as a tool compound for stilbene-based estrogen studies and for analytical method development. Its use is governed by safety and regulatory considerations due to the estrogenic nature and historical concerns surrounding DES-related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.36
    methanol 15.01
    isopropanol 9.0
    water 0.03
    ethyl acetate 132.99
    n-propanol 14.34
    acetone 163.28
    n-butanol 12.31
    acetonitrile 92.82
    DMF 235.69
    toluene 57.39
    isobutanol 11.01
    1,4-dioxane 151.22
    methyl acetate 140.29
    THF 296.3
    2-butanone 154.84
    n-pentanol 16.38
    sec-butanol 14.39
    n-hexane 4.7
    ethylene glycol 2.06
    NMP 329.2
    cyclohexane 4.31
    DMSO 176.88
    n-butyl acetate 92.94
    n-octanol 8.57
    chloroform 575.65
    n-propyl acetate 95.19
    acetic acid 45.63
    dichloromethane 816.15
    cyclohexanone 216.92
    propylene glycol 2.92
    isopropyl acetate 71.33
    DMAc 394.82
    2-ethoxyethanol 50.45
    isopentanol 12.21
    n-heptane 1.87
    ethyl formate 67.96
    1,2-dichloroethane 403.63
    n-hexanol 12.86
    2-methoxyethanol 46.24
    isobutyl acetate 51.31
    tetrachloromethane 39.46
    n-pentyl acetate 62.93
    transcutol 83.63
    n-heptanol 9.58
    ethylbenzene 38.09
    MIBK 50.9
    2-propoxyethanol 53.6
    tert-butanol 12.83
    MTBE 44.03
    2-butoxyethanol 33.61
    propionic acid 38.87
    o-xylene 33.92
    formic acid 11.61
    diethyl ether 63.05
    m-xylene 26.48
    p-xylene 51.59
    chlorobenzene 148.29
    dimethyl carbonate 79.63
    n-octane 1.5
    formamide 33.32
    cyclopentanone 345.4
    2-pentanone 99.63
    anisole 100.32
    cyclopentyl methyl ether 93.24
    gamma-butyrolactone 361.73
    1-methoxy-2-propanol 35.95
    pyridine 208.1
    3-pentanone 121.34
    furfural 262.39
    n-dodecane 1.28
    diethylene glycol 26.0
    diisopropyl ether 15.07
    tert-amyl alcohol 18.58
    acetylacetone 177.62
    n-hexadecane 1.55
    acetophenone 118.77
    methyl propionate 126.95
    isopentyl acetate 73.13
    trichloroethylene 744.32
    n-nonanol 9.97
    cyclohexanol 19.65
    benzyl alcohol 52.21
    2-ethylhexanol 13.96
    isooctanol 9.37
    dipropyl ether 37.63
    1,2-dichlorobenzene 154.14
    ethyl lactate 35.09
    propylene carbonate 151.64
    n-methylformamide 69.55
    2-pentanol 9.3
    n-pentane 2.06
    1-propoxy-2-propanol 36.85
    1-methoxy-2-propyl acetate 98.33
    2-(2-methoxypropoxy) propanol 44.17
    mesitylene 13.52
    ε-caprolactone 178.58
    p-cymene 16.7
    epichlorohydrin 451.73
    1,1,1-trichloroethane 228.22
    2-aminoethanol 5.17
    morpholine-4-carbaldehyde 251.94
    sulfolane 353.13
    2,2,4-trimethylpentane 2.12
    2-methyltetrahydrofuran 152.45
    n-hexyl acetate 58.39
    isooctane 0.96
    2-(2-butoxyethoxy)ethanol 43.01
    sec-butyl acetate 57.7
    tert-butyl acetate 70.22
    decalin 5.07
    glycerin 6.77
    diglyme 134.34
    acrylic acid 40.18
    isopropyl myristate 23.16
    n-butyric acid 48.96
    acetyl acetate 99.59
    di(2-ethylhexyl) phthalate 28.34
    ethyl propionate 93.95
    nitromethane 204.68
    1,2-diethoxyethane 76.48
    benzonitrile 93.37
    trioctyl phosphate 15.46
    1-bromopropane 125.03
    gamma-valerolactone 351.58
    n-decanol 7.63
    triethyl phosphate 44.12
    4-methyl-2-pentanol 6.71
    propionitrile 63.8
    vinylene carbonate 143.68
    1,1,2-trichlorotrifluoroethane 169.59
    DMS 111.16
    cumene 22.37
    2-octanol 8.52
    2-hexanone 89.88
    octyl acetate 30.06
    limonene 20.92
    1,2-dimethoxyethane 168.49
    ethyl orthosilicate 37.93
    tributyl phosphate 24.23
    diacetone alcohol 49.1
    N,N-dimethylaniline 60.24
    acrylonitrile 95.05
    aniline 50.34
    1,3-propanediol 10.37
    bromobenzene 180.98
    dibromomethane 382.94
    1,1,2,2-tetrachloroethane 477.86
    2-methyl-cyclohexyl acetate 59.81
    tetrabutyl urea 38.98
    diisobutyl methanol 8.83
    2-phenylethanol 43.21
    styrene 52.95
    dioctyl adipate 45.41
    dimethyl sulfate 158.31
    ethyl butyrate 79.2
    methyl lactate 37.91
    butyl lactate 35.35
    diethyl carbonate 55.39
    propanediol butyl ether 18.8
    triethyl orthoformate 51.89
    p-tert-butyltoluene 13.57
    methyl 4-tert-butylbenzoate 73.1
    morpholine 136.66
    tert-butylamine 7.88
    n-dodecanol 6.05
    dimethoxymethane 153.63
    ethylene carbonate 114.61
    cyrene 72.15
    2-ethoxyethyl acetate 113.44
    2-ethylhexyl acetate 63.8
    1,2,4-trichlorobenzene 173.93
    4-methylpyridine 186.93
    dibutyl ether 29.14
    2,6-dimethyl-4-heptanol 8.83
    DEF 153.86
    dimethyl isosorbide 114.76
    tetrachloroethylene 267.65
    eugenol 63.31
    triacetin 87.0
    span 80 30.21
    1,4-butanediol 7.65
    1,1-dichloroethane 238.09
    2-methyl-1-pentanol 19.25
    methyl formate 73.71
    2-methyl-1-butanol 14.49
    n-decane 2.27
    butyronitrile 52.25
    3,7-dimethyl-1-octanol 10.25
    1-chlorooctane 12.88
    1-chlorotetradecane 5.73
    n-nonane 1.93
    undecane 1.64
    tert-butylcyclohexane 3.85
    cyclooctane 1.44
    cyclopentanol 28.53
    tetrahydropyran 106.67
    tert-amyl methyl ether 44.47
    2,5,8-trioxanonane 83.3
    1-hexene 23.0
    2-isopropoxyethanol 38.26
    2,2,2-trifluoroethanol 27.68
    methyl butyrate 120.17

    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