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17689-16-6

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Basic Information
CAS No.: 17689-16-6
Name: Thiepan-2-one
Article Data: 3
Molecular Structure:
Molecular Structure of 17689-16-6 (Thiepan-2-one)
Formula: C6H10OS
Molecular Weight: 130.22
Synonyms: 2-Thiepanone;thiohexanolide;
Density: 1.083g/cm3
Boiling Point: 237.2°Cat760mmHg
Flash Point: 101.1°C
Safety: A skin and eye irritant. When heated to decomposition it emits toxic fumes of SOx. See also SULFIDES.
PSA: 42.37000
LogP: 1.82020
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Chemistry

Product Name: 2-Thiepanone (CAS NO.17689-16-6)


IUPAC: Thiepan-2-one
Molecular Formula: C6H10OS
Molecular Weight: 130.22g/mol
Mol File: 17689-16-6.mol
Boiling point: 237.2 °C at 760 mmHg
Flash Point: 101.1 °C
Density: 1.083 g/cm3
Surface Tension: 37.9 dyne/cm
Enthalpy of Vaporization: 47.4 kJ/mol
Vapour Pressure: 0.0455 mmHg at 25°C
XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 1

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 500uL/kg (0.5mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 600uL/kg (0.6mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Safety Profile

A skin and eye irritant. When heated to decomposition it emits toxic fumes of SOx. See also SULFIDES.

Specification

 2-Thiepanone , its CAS NO. is 17689-16-6, the synonyms are BRN 6855682 ; Hexanoic acid, 6-mercapto-, epsilon-(thiolactone) ; Thiepan-2-one ; epsilon-Thiocaprolactone .