80-48-8
Product Name:
Methyl p-toluenesulfonate
Formula:
C8H10O3S
Synonyms:
Methyl-4-toluenesulfonate;p-Toluenesulfonic acid methyl ester
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Other Solid |
|---|---|
| Color/Form | MONOCLINIC LEAFLETS OR PRISMS FROM ETHER-PETROLEUM ETHER |
| Boiling Point | 292 °C @ 760 MM HG |
| Melting Point | 28-29 °C |
| Flash Point | 306 °F (152 °C) (open cup) |
| Solubility | INSOL IN WATER; SLIGHTLY SOL IN PETROLEUM ETHER; SOL IN ETHER; VERY SOL IN ALCOHOL, BENZENE, CHLOROFORM |
| Density | 1.230 @ 25 DEG/25 °C |
| Vapor Density | 6.45 (AIR= 1) |
| Other Experimental Properties | LOW-MELTING SOLID OR LIQUID |
| Chemical Classes | Other Classes -> Benzenesulfonic Acid Derivatives |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H314:Skin corrosion/irritation H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 | 186.23 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 186.03506535 g/mol |
| Monoisotopic Mass | 186.03506535 g/mol |
| Topological Polar Surface Area | 51.8 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 219 |
| 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 |