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