24817-51-4
Product Name:
FEMA 3632
Formula:
C13H18O2
Synonyms:
Benzyl carbinyl ethyl methyl acetate;rose butanoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colourless liquid; sweet floral fruity odour with a warm, oily-herbaceous undertone |
|---|---|
| Boiling Point | 136.00 °C. @ 30.00 mm Hg |
| Solubility | Insoluble in water; soluble in oils |
| Density | 0.974-0.980 |
| Refractive Index | 1.481-1.489 |
| Kovats Retention Index | 1460 1466 1484.3 1472 |
COMPUTED DESCRIPTORS
| Molecular Weight | 206.28 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 206.130679813 g/mol |
| Monoisotopic Mass | 206.130679813 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 183 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Phenylethyl 2-methylbutanoate is a natural product found in Mentha spicata and Mentha longifolia with data available.