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20462-00-4

Basic Information
CAS No.: 20462-00-4
Name: Ethyl 1,3-dithiane-2-carboxylate
Article Data: 13
Molecular Structure:
Molecular Structure of 20462-00-4 (Ethyl 1,3-dithiane-2-carboxylate)
Formula: C7H12 O2 S2
Molecular Weight: 192.303
Synonyms: m-Dithiane-2-carboxylicacid, ethyl ester (8CI); 2-(Ethoxycarbonyl)-1,3-dithiane; Ethyl1,3-dithiane-2-carboxylate
EINECS: 243-838-4
Density: 1.22
Melting Point: 19-21°C
Boiling Point: 75-77 ºC (0.2 mmHg)
Flash Point: 130.2°C
Solubility: Slightly miscible with water.
Appearance: Clear light yellow liquid.
Hazard Symbols: R10:;
Risk Codes: R10   
Safety: S26;S36/37/39;S45
Transport Information: UN 3272
PSA: 76.90000
LogP: 1.74570
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  • Ethyl 1,3-dithiane-2-carboxylate

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  • Ethyl 1,3-dithiane-2-carboxylate

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    Ethyl 1,3-dithiane-2-carboxylate

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Chemistry

Molecular Structure of Ethyl 1,3-dithiane-2-carboxylate (CAS No.20462-00-4):

Molecular Formula: C7H12O2S2
Molecular Weight: 192.299
CAS No: 20462-00-4
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 76.9 Å2
Index of Refraction: 1.543
Molar Refractivity: 50.35 cm3
Molar Volume: 159.5 cm3
Surface Tension: 43.2 dyne/cm
Density: 1.205 g/cm3
Flash Point: 130.2 °C
Enthalpy of Vaporization: 52.06 kJ/mol
Boiling Point: 281.7 °C at 760 mmHg
Vapour Pressure: 0.0035 mmHg at 25°C
InChI: InChI=1/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3
InChIKey: ANEDZEVDORCLPM-UHFFFAOYAJ
Std. InChI: InChI=1S/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3
Std. InChIKey: ANEDZEVDORCLPM-UHFFFAOYSA-N
IUPAC Name: Ethyl 1,3-dithiane-2-carboxylate 
Product Categories: Sulfur compounds;Heterocyclic Compounds;Sulfur Compounds (for Synthesis);Synthetic Organic Chemistry

Safety Profile

Risk Statements: 10 
R10:Flammable.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3272 3/PG 3
WGK Germany: 3
F: 9-13
HazardClass: 3
PackingGroup: III
HS Code: 29349990

Specification

  Ethyl 1,3-dithiane-2-carboxylate (CAS No.20462-00-4), its synonyms are 2-Carboethoxy-1,3-dithiane ; Carboethoxy-1,3-dithiane ; 1,3-Dithiane-2-carboxylic Acid Ethyl Ester ; 2-Carboethoxy-1,3-dithiane ; Glyoxylic acid ethyl ester trimethylenemercaptal .