-
Name
TRICYCLO[5.2.1.02,6]DECAN-8-ONE
- EINECS 236-458-5
- CAS No. 13380-94-4
- Article Data13
- CAS DataBase
- Density 1.105 g/cm3
- Solubility Slightly soluble in water
- Melting Point
- Formula C10H14 O
- Boiling Point 234.9ºC at 760 mmHg
- Molecular Weight 150.221
- Flash Point 101.1 ºC
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4,7-Methanoindan-5(4H)-one,tetrahydro- (6CI,7CI,8CI); 8-Ketotricyclo[5.2.1.02,6]decane;8-Oxotricyclo[5.2.1.02,6]decane; NSC 77098; Tricyclo[5.2.1.02,6]decan-8-one
- PSA 17.07000
- LogP 2.01160
4,7-Methano-5H-inden-5-one, octahydro- Chemical Properties
Molecular Formula of 4,7-Methano-5H-inden-5-one, octahydro- (13380-94-4): C10H14O
Molar mass: 150.22 g/mol
EINECS: 236-458-5
Density: 1.105 g/cm3
Flash Point: 101.1 °C
Index of Refraction: 1.535
Boiling Point: 234.9 °C at 760 mmHg
Vapour Pressure: 0.0515 mmHg at 25°C
Structure of 4,7-Methano-5H-inden-5-one, octahydro- (13380-94-4):
XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 1
SMILES: O=C1CC3CC1C2CCCC23
InChI: InChI=1/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2
InChIKey: OMIDXVJKZCPKEI-UHFFFAOYAH
Std. InChI: InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2
Std. InChIKey: OMIDXVJKZCPKEI-UHFFFAOYSA-N
4,7-Methano-5H-inden-5-one, octahydro- Toxicity Data With Reference
| 1. | orl-rat LD50:710 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. | ||
| 2. | skn-rbt LD50:1260 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. |
4,7-Methano-5H-inden-5-one, octahydro- Consensus Reports
Reported in EPA TSCA Inventory.
4,7-Methano-5H-inden-5-one, octahydro- Safety Profile
Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
4,7-Methano-5H-inden-5-one, octahydro- Specification
4,7-Methano-5H-inden-5-one, octahydro- (13380-94-4) also can be called 8-Ketotricyclo[5.2.1.02,6]decane ; Corodane and 4,7-Methanoindan-5(4H)-one, tetrahydro- .
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