CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 6-methylcoumarin appears as white crystals with a flavor of vanilla. Insoluble in water. (NTP, 1992) |
|---|---|
| Color/Form | White, crystalline solid |
| Odor | Somewhat dry, herbaceous (tonka-like) odor; also characterized as a delicate fig or date sweetness. |
| Taste | Almost bitter taste above 50 ppm, turning sweet and vanilla-like at lower levels. |
| Boiling Point | 577 °F at 725 mmHg (NTP, 1992) |
| Melting Point | 167 to 169 °F (NTP, 1992) |
| Flash Point | 266 °F (NTP, 1992) |
| Solubility | Insoluble (NTP, 1992) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Kovats Retention Index | 1545 1564 1574 1545 1545 |
| Other Experimental Properties | Congealing point: >73.5 °C |
| Chemical Classes | Biological Agents -> Plant Toxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 160.17 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 160.052429494 g/mol |
| Monoisotopic Mass | 160.052429494 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 220 |
| 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
6-methylcoumarin appears as white crystals with a flavor of vanilla. Insoluble in water. (NTP, 1992)