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15980-15-1

Basic Information
CAS No.: 15980-15-1
Name: 1,4-Oxathiane
Molecular Structure:
Molecular Structure of 15980-15-1 (1,4-Oxathiane)
Formula: C4H8OS
Molecular Weight: 104.18
Synonyms: 1,4-Oxathiin,2,3,5,6-tetrahydro-;1,4-Thioxane;1-Oxa-4-thiacyclohexane;1-Thia-4-oxacyclohexane;NSC 49179;p-Thioxane;
EINECS: 240-117-6
Density: 1.074 g/cm3
Melting Point: -17°C
Boiling Point: 147.2 °C at 760 mmHg
Flash Point: 55.6 °C
Solubility:
Appearance: clear colorless to yellow liquid
Hazard Symbols:
Risk Codes: 10-36/37/38
Safety: 16-26-27-36/37/39
Transport Information:
PSA: 34.53000
LogP: 0.74980
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    1,4-Oxathiane

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Chemistry

Molecule structure of 1,4-Oxathiane (CAS NO.15980-15-1):
 .
IUPAC Name: 1,4-Oxathiane
Molecular Formula: C4H8OS
Molecular Weight: 104.18 g/mol
Index of Refraction: 1.493
Molar Refractivity: 28.21 cm3
Molar Volume: 96.9 cm3
Polarizability: 11.18 ×10-24 cm3
Surface Tension: 37.7 dyne/cm
Density: 1.074 g/cm3
Flash Point: 55.6 °C
Enthalpy of Vaporization: 36.84 kJ/mol
Boiling Point: 147.2 °C at 760 mmHg
Vapour Pressure: 5.65 mmHg at 25 °C 
Storage Temp.: flammables area
XLogP3-AA: 0.5
H-Bond Acceptor: 1
Exact Mass: 104.029586
MonoIsotopic Mass: 104.029586
Topological Polar Surface Area: 9.2
Heavy Atom Count: 6
Complexity: 34.5
Canonical SMILES: C1CSCCO1
InChI: InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2
InChIKey: JBYHSSAVUBIJMK-UHFFFAOYSA-N

Uses

 1,4-Oxathiane (CAS NO.15980-15-1) is used as organic intermediate.

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H MLD

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
2.    

eye-rbt 20 mg open

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
3.    

orl-rat LD50:2830 mg/kg

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
4.    

ihl-rat LCLo:4000 ppm/4H

    JIHTAB    Journal of Industrial Hygiene and Toxicology. 31 (1949),343.

Safety Profile

Moderately toxic by ingestion. Mildly toxic by inhalation. A skin and eye irritant. Flammable liquid when exposed to heat, sparks, flame, or oxidizers. Forms explosive complexes with silver perchlorate or copper(I) perchlorate. Incompatible with metal perchlorates and oxidizing materials. To fight fire, use water, CO2, dry chemical. When heated to decomposition it emits toxic fumes of SOx.
Hazard Codes: IrritantXi
Risk Statements: 10-36/37/38 
R10: Flammable. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-27-36/37/39 
S16: Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27: Take off immediately all contaminated clothing.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 1993 3/PG 3
WGK Germany: 2
RTECS: RP4200000
TSCA: T
HazardClass: 3
PackingGroup: III 

Specification

 1,4-Oxathiane (CAS NO.15980-15-1) is also named as 1,4-Oxathiin, 2,3,5,6-tetrahydro- ; 1,4-Thioxane ; 1-Oxa-4-thiacyclohexane ; CCRIS 1746 ; EINECS 240-117-6 ; NSC 49179 ; Oxathiane ; p-Thioxane . 1,4-Oxathiane (CAS NO.15980-15-1) is clear colorless to yellow liquid.