3188-00-9
Product Name:
2-Methyltetrahydrofuran-3-one
Formula:
C5H8O2
Synonyms:
2-Methyltetrahydro-3-furanone;4,5-Dihydro-2-methyl-3(2H)-furanone;Coffee furanone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 138.00 to 139.00 °C. @ 760.00 mm Hg |
| Solubility | slightly |
| Density | 1.180-1.185 |
| Refractive Index | 1.534-1.537 |
| Kovats Retention Index | 768.1 768.1 751 774 773 776 775 776 777 782 760 775 775 791.2 781 780 780 779 781 781 770 774 800.2 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 100.12 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 100.052429494 g/mol |
| Monoisotopic Mass | 100.052429494 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 88.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dihydro-2-methyl-3(2H)-furanone is a member of oxolanes.