85-91-6
Product Name:
Methyl 2-(methylamino)benzoate
Formula:
C9H11NO2
Synonyms:
Methyl N-methylanthranilate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless or pale yellow liquid with an odor of grapes; [Hawley] Pale-yellow liquid with a slightly blue fluorescence or solid; Odor like orange peels; mp = 18.5-19.5 deg C; [HSDB] |
|---|---|
| Color/Form | PALE-YELLOW LIQ WITH SLIGHT BLUISH FLUORESCENCE |
| Odor | ORANGE & MANDARIN-PEEL-LIKE ODOR |
| Taste | MUSTY, GRAPE-LIKE FLAVOR, SOMEWHAT MORE BERRY-LIKE THAN GRAPE |
| Boiling Point | 256 °C @ 760 MM HG |
| Melting Point | 18.5-19.5 °C |
| Flash Point | 91 °C |
| Solubility | INSOL IN WATER; SOL IN ALCOHOL, ETHER |
| Density | 1.120 @ 15 °C |
| Refractive Index | INDEX OF REFRACTION: 1.5785-1.5810 (1.5800-1.5810) @ 20 °C |
| Kovats Retention Index | 1376 1375 1385 1385 1385 1389 1385 1388 |
| Other Experimental Properties | CONGEALING POINT: GREATER THAN 12.0 °C (12.5-15.5 °C) |
| Chemical Classes | Other Classes -> Benzoic Acid Derivatives |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 165.19 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 165.078978594 g/mol |
| Monoisotopic Mass | 165.078978594 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 159 |
| 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
Methyl N-methylanthranilate is a methyl ester resulting from the formal condensation of the carboxy group of N-methylanthranilic acid with methanol. It has a role as a fungal metabolite, a plant metabolite and an animal metabolite. It is a benzoate ester, a methyl ester, a secondary amino compound and a substituted aniline. It is functionally related to a N-methylanthranilic acid.