7367-88-6
Product Name:
ETHYL TRANS-2-DECENOATE
Formula:
C12H22O2
Synonyms:
trans-2-Decenoic acid ethyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Fatty-waxy aroma specific to over-ripe pear |
|---|---|
| Boiling Point | 133.00 to 135.00 °C. @ 20.00 mm Hg |
| Solubility | Insoluble in water; soluble in fats |
| Density | 0.880-0.890 (20°) |
| Refractive Index | 1.440-1.450 |
| Kovats Retention Index | 1166 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation 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. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 198.30 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 198.161979940 g/mol |
| Monoisotopic Mass | 198.161979940 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 162 |
| 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
Ethyl (2E)-2-decenoate is a fatty acid ethyl ester obtained by the formal condensation of trans-2-decenoic acid with ethanol. It has a role as a metabolite. It is functionally related to a trans-2-decenoic acid.