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6607-53-0

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Basic Information
CAS No.: 6607-53-0
Name: 2-(Methylthio)ethyl(vinyl) ether
Molecular Structure:
Molecular Structure of 6607-53-0 (2-(Methylthio)ethyl(vinyl) ether)
Formula: C5H10OS
Molecular Weight: 118.21
Synonyms: 1-Methylmercapto-2-vinyloxy-aethan;(2-Methylsulfanyl-ethoxy)-ethene;
Density: 0.934g/cm3
Boiling Point: 152.3°Cat760mmHg
Flash Point: 45.9°C
Safety: A poison by ingestion, skin contact, and inhalation. When heated to decomposition it emits toxic vapors of SOx.
PSA: 34.53000
LogP: 1.50950
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Chemistry

Molecule structure of Methylvinyloxyethyl sulfide (CAS NO.6607-53-0):

IUPAC Name: 2-Methylsulfanylethoxyethene 
Molecular Weight: 118.1973 g/mol
Molecular Formula: C5H10OS 
Density: 0.934 g/cm3 
Boiling Point: 152.3 °C at 760 mmHg 
Flash Point: 45.9 °C
Index of Refraction: 1.46
Molar Refractivity: 34.68 cm3
Molar Volume: 126.4 cm3
Polarizability: 13.74×10-24 cm3
Surface Tension: 27.7 dyne/cm 
Enthalpy of Vaporization: 37.31 kJ/mol
Vapour Pressure: 4.5 mmHg at 25 °C 
XLogP3-AA: 1.5
H-Bond Acceptor: 1
Rotatable Bond Count: 4
Exact Mass: 118.045236
MonoIsotopic Mass: 118.045236
Topological Polar Surface Area: 9.2
Heavy Atom Count: 7
Complexity: 45.3
Canonical SMILES: CSCCOC=C
InChI: InChI=1S/C5H10OS/c1-3-6-4-5-7-2/h3H,1,4-5H2,2H3
InChIKey of Methylvinyloxyethyl sulfide (CAS NO.6607-53-0): AAOKKJCPGNXYLC-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:3250 µL/kg

     AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.
2.    

ihl-rat LCLo:3200 ppm/8H

     AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.
3.    

skn-rbt LD50:>8 mL/kg

     AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.

Safety Profile

A poison by ingestion, skin contact, and inhalation. When heated to decomposition it emits toxic vapors of SOx.

Specification

 Methylvinyloxyethyl sulfide (CAS NO.6607-53-0) is also named as 4-01-00-02434 (Beilstein Handbook Reference) ; BRN 1741643 ; Ether, 2-(methylthio)ethyl vinyl ; Sulfide, methylvinyloxyethyl- .