93-15-2
Product Name:
Methyl eugenol
Formula:
C11H14O2
Synonyms:
4-Allyl-1,2-dimethoxybenzene;Eugenol methyl ether;Eugenyl methyl ether
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Methyleugenol is a clear colorless to pale yellow liquid with a spicy earthy odor. Bitter burning taste. (NTP, 1992) |
|---|---|
| Color/Form | Crystals from hexane |
| Odor | Mild-spicy, slightly herbal odor |
| Taste | BITTER, BURNING TASTE |
| Boiling Point | 490.5 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 25 °F (NTP, 1992) |
| Flash Point | 210 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Density | 1.0396 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | greater than 1.0 (NTP, 1992) (Relative to Air) |
| Vapor Pressure | 0.02 mmHg at 68 °F ; 1 mmHg at 185.0 °F (NTP, 1992) |
| Stability/Shelf Life | Stable to air, heat and light. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Refractive Index | Index of refraction = 1.5340 at 20 °C/D |
| Collision Cross Section | 138.94 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 1402 1378 1385 1367 1371 1369 1403 1402 1401 1364 1372 1371 1369 1368 1384 1376 1376 1370 1373 1370 1377 1371 1372 1360 1369 1368 1373 1402 1361 1371 1366 1374 1372 1372 1379 1383 1375 1376 1373 1368 1374 1370 1374 1403 1374 1368 1403 1404 1389 1364 1373 1367 1402 1375 1368 1369 1370 1371 1392 1365 1373 1359 1373 1365.1 1380 1368 1371 1376 1375 1367 1367 1367 1367 1370 1370 1393 1375 1367 1378 1377 1415 1378 1370 1384 1373 1373 1371 1372 1380.3 1369 1368 1377 1372 1365.4 |
| Other Experimental Properties | Forms azeotropic mixtures with ethylene glycol (31.5%), eugenol (55%), benzoic acid (11%) & others. |
| Chemical Classes | Other Classes -> Ethers, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H341:Germ cell mutagenicity H351:Carcinogenicity H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P273:Avoid release to the environment. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 178.23 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 178.099379685 g/mol |
| Monoisotopic Mass | 178.099379685 g/mol |
| Topological Polar Surface Area | 18.5 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 156 |
| 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
Methyleugenol is a clear colorless to pale yellow liquid with a spicy earthy odor. Bitter burning taste. (NTP, 1992)