115-95-7
Product Name:
Linalyl acetate
Formula:
C12H20O2
Synonyms:
3,7-Dimethyl-1,6-octadien-3-yl acetate;Bergamol;Linalyl acetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; Liquid, Other Solid; Other Solid |
|---|---|
| Color/Form | Clear, colorless, oily liquid |
| Odor | ...floral-fruity odor, reminiscent of bergamot and it also has some pear character |
| Taste | Persistent sweet, acrid taste |
| Boiling Point | 221 °C |
| Melting Point | < 25 °C |
| Flash Point | 94 °C (201 °F) - closed cup |
| Solubility | Insoluble in water |
| Density | 0.895 g/cu cm at 20 °C |
| Vapor Density | Relative vapor density (air = 1): 6.77 |
| Vapor Pressure | 0.11 [mmHg] |
| LogP | log Kow = 3.93 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Optical Rotation | Angular rotation: -1 to +1 deg |
| Autoignition Temperature | 225 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Viscosity | 2.4 mm²/s at 23 °C |
| Odor Threshold | Odor Threshold Low: 6.06 [mmHg] Odor threshold from CHEMINFO |
| Refractive Index | Index of refraction: 1.4500 at 20 °C (natural); 1.4495-1.4512 at 20 °C (synthetic); optical rotation: -7 deg 42 min to +8 deg 18 min (natural); + or - 0 deg (synthetic) |
| Kovats Retention Index | 1236 1237 1270 1251 1240 1240 1237 1248 1240 1237 1244 1240 1231 1239.4 1239 1240.13 1239 1239 1243 1239 1240 1239 1239 1244 1238 1242 1239.2 1242.5 1241 1239 1241 1240 1240 1254 1248 1237 1239 1239 1239 1240 1240 1240 1241 1241 1295 1240 1246 1244 1240 1239.7 1242 1243 1244 1245 1246 1243 1244 1245 1246 1250 1245 1255 1227 1239 1241 1245 1240 1243 1243 1237 1242 1223 1242 1247 1238 1243 1255 1243 1243 1252 1245 1245 1244 1240 1238 1234 1245 1241 1235 1234 1250 1256 1251 1237 1231 1232 1245 1258 1240 1240 1248 1239 1242 1245 1239 1242 1244 1264 1242 1247 1242 1236 1246 1242 1250 1240 |
| Other Experimental Properties | Acid value: 1 max |
| Chemical Classes | Biological Agents -> Plant Oils and Extracts |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P272:Contaminated work clothing should not be allowed out of the workplace. 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. |
COMPUTED DESCRIPTORS
| Molecular Weight | 196.29 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| 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 | 237 |
| 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
3,7-dimethylocta-1,6-dien-3-yl acetate is a monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender. It is an acetate ester and a monoterpenoid. It is functionally related to a linalool.