125-12-2
Product Name:
Isobornyl acetate
Formula:
C12H20O2
Synonyms:
Acetic acid isobornyl ester, exo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate;Isobornyl acetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder, Liquid; Liquid; Liquid, Other Solid; Other Solid |
|---|---|
| Color/Form | Colorless to very pale straw-colored liquid |
| Odor | Pine needles |
| Taste | Fresh, burning taste |
| Boiling Point | 220-224 °C |
| Flash Point | 190 °F (88 °C) /closed cup/ |
| Solubility | Insoluble in water |
| Density | 0.978 at °C |
| LogP | log Kow = 4.30 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Refractive Index | Index of refraction: 1.462-1.465 at 20 °C |
| Other Experimental Properties | Insoluble in water at 227 °C |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/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. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 196.29 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 196.146329876 g/mol |
| Monoisotopic Mass | 196.146329876 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 270 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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
Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate is a natural product found in Tanacetum parthenium, Pinus densiflora, and Abies sibirica with data available.