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- Diethylstilbestrol dipropionate
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Cas Database |
| Name |
Diethylstilbestrol dipropionate |
EINECS | 204-995-4 |
| CAS No. | 130-80-3 | Density | 1.075g/cm3 |
| PSA | 52.60000 | LogP | 6.04820 |
| Solubility | N/A | Melting Point |
104° |
| Formula | C24H28 O4 | Boiling Point | 486.4°Cat760mmHg |
| Molecular Weight | 380.484 | Flash Point | 237°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Confirmed carcinogen with experimental tumorigenic data. An experimental teratogen. Other experimental reproductive effects. Human mutagenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also DIETHYLSTILBESTEROL. | Risk Codes | 45-46-61-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
4,4'-Stilbenediol,a,a'-diethyl-, dipropionate, (E)- (8CI);Phenol,4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, dipropanoate, (E)-;Phenol,4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-, dipropanoate (9CI);Clinestrol;Cyren B;Dibestil;Diethylstilbestrol dipropionate;Diethylstilbestrolpropionate;Dihydroxydiethylstilbene dipropionate;Estilben;Estilbin;EstrobenDF;Estrobene DP;Estrogenin;Estrostilben;Euvestin;Gynolett;Horfemine;Neo-Oestranol II;New-Oestranol 11;Oestrogynaedron;Orestol;Pabestrol D;Sinciclan;Sinestrol;Stilbestrol dipropionate;Stilbestrol propionate;Stilbestronate;Stilboestrol DP;Stilbofax;Stilronate;Synestrol;Synoestrol;Synoestron;Syntestrin;Syntestrine;Tauripar B;Vetoestrol;Willestrol;p,p'-Dipropionoxy-trans-a,b-diethylstilbene;a,a'-Diethyl-4,4'-stilbenediol dipropionate;a,a'-Diethyl-4,4'-stilbenediol dipropionyl ester; |
Article Data | 16 |
Diethylstilbestrol dipropionate Chemical Properties
Product Name: Diethylstilbestrol dipropionate (CAS NO.130-80-3)
Molecular Formula: C24H28O4
Molecular Weight: 380.48g/mol
Mol File: 130-80-3.mol
Einecs: 204-995-4
Appearance: Colorless crystals or white crystalline fluffy powder
Boiling point: 486.4 °C at 760 mmHg
Flash Point: 237 °C
Density: 1.075 g/cm3
Surface Tension: 39.1 dyne/cm
Enthalpy of Vaporization: 75.21 kJ/mol
Vapour Pressure: 1.29E-09 mmHg at 25°C
XLogP3-AA: 6.2
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Diethylstilbestrol dipropionate (CAS NO.130-80-3):
IUPAC Name: [4-[(E)-4-(4-propanoyloxyphenyl)hex-3-en-3-yl]phenyl] propanoate
Canonical SMILES: CCC(=C(CC)C1=CC=C(C=C1)OC(=O)CC)C2=CC=C(C=C2)OC(=O)CC
Isomeric SMILES: CC/C(=C(/CC)\C1=CC=C(C=C1)OC(=O)CC)/C2=CC=C(C=C2)OC(=O)CC
InChI: InChI=1S/C24H28O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16H,5-8H2,1-4H3/b22-21+
InChIKey: VZMLEMYJUIIHNF-QURGRASLSA-N
Diethylstilbestrol dipropionate Toxicity Data With Reference
| 1. | cyt-hmn:lym 1300 nmol/L | TGANAK Tsitologiya i Genetika. 16 (2)(1982),24. | ||
| 2. | sln-mus-ipr 50 mg/kg | MUREAV Mutation Research. 144 (1985),27. | ||
| 3. | cyt-ham:fbr 5 mg/L | CRNGDP Carcinogenesis. 3 (1982),499. | ||
| 4. | sce-ham:fbr 5 mg/L | CRNGDP Carcinogenesis. 3 (1982),499. | ||
| 5. | unr-mus TDLo:200 µg/kg (female 13D post):TER | CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 164 (1970),2372. | ||
| 6. | scu-rat TDLo:80 mg/kg:ETA | HMMRA2 Hormone and Metabolic Research. 7 (1975),228. | ||
| 7. | imp-gpg TDLo:5 mg/kg:ETA,REP | RSABAC Revista de la Sociedad Argentina de Biologia. 25 (1949),215. | ||
| 8. | scu-frg TDLo:133 mg/kg/32W-I:NEO | BEXBAN Bulletin of Experimental Biology and Medicine. Translation of BEBMAE. 81 (1976),898. |
Diethylstilbestrol dipropionate Consensus Reports
IARC Cancer Review: Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 173.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.
Diethylstilbestrol dipropionate Safety Profile
Confirmed carcinogen with experimental tumorigenic data. An experimental teratogen. Other experimental reproductive effects. Human mutagenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also DIETHYLSTILBESTEROL.
Safety Information of Diethylstilbestrol dipropionate (CAS NO.130-80-3):
Hazard Codes: T
Risk Statements: 45-46-61-20/21/22
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
45: May cause cancer
46: May cause heritable genetic damage
61: May cause harm to the unborn child
Safety Statements: 53-22-36/37/39-45
22: Do not breathe dust
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
53: Avoid exposure - obtain special instruction before use
Diethylstilbestrol dipropionate Specification
Diethylstilbestrol dipropionate ,its CAS NO. is 130-80-3,the synonyms is Phenol, 4,4'-((1E)-1,2-diethyl-1,2-ethenediyl)bis-, dipropanoate ; 4,4'-((1E)-1,2-Diethyl-1,2-ethenediyl)bisphenol ; 4,4'-Stilbenediol, alpha,alpha'-diethyl-, dipropionate, trans- ; 4-06-00-06857 (Beilstein Handbook Reference) ; BRN 2632126 ; CCRIS 241 ; Clinestrol ; Cyren B ; DESD ; Dibestil ; Diethylstilbestrol propionate ; Dihydroxydiethylstilbene dipropionate ; Dipropionato de estilbene ; EINECS 204-995-4 ; Estilben ; Gynolett ; Horfemine ; Neo-oestranol II ; Oestrogynaedron ; Orestol ; Pabestrol D ; Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, dipropanoate, (E)- ; Sinciclan ; Sinestrol ; Stilbestrol dipropionate ; Stilbestrol, diethyl dipropionate ; Stilbestronate ; Stilboestrol DP ; Vetoestrol ; Willestrol ; alpha,alpha'-Diethyl-4,4'-stilbenediol dipropionyl ester ; p,p'-Dipropionoxy-trans-alpha,beta-diethylstilbene trans-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol dipropionate .
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