1120-71-4
Product Name:
1,3-Propanesultone
Formula:
C3H6O3S
Synonyms:
1,2-Oxathiolane 2,2-dioxide;3-Hydroxypropanesulfonic acid γ-sultone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Propane sultone appears as white crystalline solid or a colorless liquid (above 86 °F). Releases a foul odor when melting. (NIOSH, 2022) |
|---|---|
| Color/Form | COLORLESS LIQ OR WHITE CRYSTALS |
| Odor | Foul odor above 31.11 °C. |
| Boiling Point | 180 °C at 0.039 atm. |
| Melting Point | 86 °F (NIOSH, 2023) |
| Flash Point | greater than 235 °F (NIOSH, 2023) |
| Solubility | 10 % (NIOSH, 2023) |
| Density | 1.39 (NIOSH, 2023) - Denser than water; will sink |
| Vapor Pressure | 0.27 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.450 @ 40 °C/D |
| Other Experimental Properties | HYDROLYZES TO 3-HYDROXY-1-PROPANESULFONIC ACID. |
| Chemical Classes | Other Classes -> Sulfur Compounds |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H350:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 122.15 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 122.00376522 g/mol |
| Monoisotopic Mass | 122.00376522 g/mol |
| Topological Polar Surface Area | 51.8 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 140 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Propane sultone appears as white crystalline solid or a colorless liquid (above 86 °F). Releases a foul odor when melting. (NIOSH, 2022)