607-91-0
Product Name:
Myristicin
Formula:
C11H12O3
Synonyms:
4-Methoxy-6-(2-propenyl)-1,3-benzodioxole;5-Allyl-2,3-(methylendioxy)anisole;6-Allyl-4-methoxy-1,3-benzodioxole
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [Merck Index] |
|---|---|
| Boiling Point | 276.5 °C |
| Melting Point | <-20 °C |
| Solubility | Insoluble in water, slightly soluble in ethanol, soluble in ether and benzene. |
| Density | 1.1416 at 20 °C g/cu cm |
| Vapor Pressure | 0.00646 [mmHg] |
| Refractive Index | Index of refraction = 1.5403 at 20 °C/D |
| Collision Cross Section | 141.69 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 1516 1482 1484 1500 1492 1501 1500 1526 1483 1493 1475 1494 1490 1498 1519 1500 1482 1493 1491 1478 1493 1493 1532 1493 1498.1 1514.7 |
| Other Experimental Properties | 0.183 kPa at 100 °C (1.3725 mm Hg) |
| Chemical Classes | Biological Agents -> Plant Toxins |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 192.21 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 192.078644241 g/mol |
| Monoisotopic Mass | 192.078644241 g/mol |
| Topological Polar Surface Area | 27.7 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 205 |
| 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
Myristicin is an organic molecular entity. It has a role as a metabolite.