5273-86-9
Product Name:
BETA-ASARONE
Formula:
C12H16O3
Synonyms:
β-Asarone;cis-1-Propenyl-2,4,5-trimethoxybenzene;cis-Asarone;cis-Isoasarone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1561 1640 1599 1579 1579.9 1582.2 |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 208.25 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 208.109944368 g/mol |
| Monoisotopic Mass | 208.109944368 g/mol |
| Topological Polar Surface Area | 27.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 203 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Asarone is a phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus. It has a role as a plant metabolite. It is a phenylpropanoid, a member of methoxybenzenes and an alkenylbenzene.