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13380-94-4

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Basic Information
CAS No.: 13380-94-4
Name: TRICYCLO[5.2.1.02,6]DECAN-8-ONE
Article Data: 13
Molecular Structure:
Molecular Structure of 13380-94-4 (TRICYCLO[5.2.1.02,6]DECAN-8-ONE)
Formula: C10H14 O
Molecular Weight: 150.221
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
EINECS: 236-458-5
Density: 1.105 g/cm3
Boiling Point: 234.9ºC at 760 mmHg
Flash Point: 101.1 ºC
Solubility: Slightly soluble in water
Safety: Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 17.07000
LogP: 2.01160
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Chemistry

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.

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- .