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| Name |
18-Homo-oestriol |
EINECS | N/A |
| CAS No. | 19882-03-2 | Density | 1.223g/cm3 |
| PSA | 60.69000 | LogP | 2.97010 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H26O3 | Boiling Point | 479.4°C at 760 mmHg |
| Molecular Weight | 302.45 | Flash Point | 223.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mildly toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
18-Homo-oestriol Chemical Properties
Product Name: 18-Homo-oestriol
CAS Registry Number: 19882-03-2
Synonyms: 18-Homo-estriol ; 18-Homo-oestriol ; NSC 111636 ; WY-5090
Systematic Name: Gona-1,3,5(10)-triene-3,16-alpha,17-beta-triol, 13-ethyl-
IUPAC Name: 13-ethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Molecular Weight: 302.40794 [g/mol]
Molecular Formula: C19H26O3
XLogP3: 2.8
H-Bond Donor: 3
H-Bond Acceptor: 3
Surface Tension: 52.9 dyne/cm
Density: 1.223 g/cm3
Flash Point: 223.1 °C
Enthalpy of Vaporization: 78.34 kJ/mol
Boiling Point: 479.4 °C at 760 mmHg
Vapour Pressure: 5.32E-10 mmHg at 25°C
Following is the molecular structure of 18-Homo-oestriol (CAS NO.19882-03-2) is:
18-Homo-oestriol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 5010mg/kg (5010mg/kg) | Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971. | |
| rat | LD50 | oral | 5010mg/kg (5010mg/kg) | Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971. |
18-Homo-oestriol Safety Profile
Mildly toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
18-Homo-oestriol Specification
Descriptors computed from structure, you can know some information about 18-Homo-oestriol (CAS NO.19882-03-2) :
Canonical SMILES: CCC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C19H26O3/c1-2-19-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)16(19)
10-17(21)18(19)22/h4,6,9,14-18,20-22H,2-3,5,7-8,10H2,1H3
InChIKey: KMVJBESLNMZCAQ-UHFFFAOYSA-N
Exact Mass: 302.188195
MonoIsotopic Mass: 302.188195
Topological Polar Surface Area: 60.7
Heavy Atom Count: 22
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