106-22-9
Product Name:
Citronellol
Formula:
C10H20O
Synonyms:
(±)-β-Citronellol;(S)-(-)-ß-Citronellol;(S)-(-)-3,7-Dimethyl-6-octen-1-ol, ß-Rhodinol;3,7-Dimethyl-6-octen-1-ol;beta-Citronellol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder, Liquid, Other Solid; Liquid |
|---|---|
| Color/Form | Colorless oily liquid |
| Odor | Fresh rosy odor |
| Taste | Bitter taste /d-Citronellol/; sweet, peach-like flavor /l-citronellol/ |
| Boiling Point | 224 °C |
| Melting Point | <-20 °C |
| Solubility | In water, 200 mg/L at 25 °C |
| Density | 0.8550 g/cu cm at 20 °C |
| Vapor Pressure | 0.04 [mmHg] |
| LogP | log Kow = 3.91 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Viscosity | 11.1 mPa s (dynamic) at 20 °C; 5.33 mPa s (dynamic) at 40 °C |
| Refractive Index | Index of refraction: 1.4559 at 20 °C |
| Kovats Retention Index | 1208 1207 1208 1213 1214 1212 1210 1212 1213 1213 1214 1209 1207 1210 1208 1225 1207 1208 1207 1207 1218 1207 1212 1215 1229 1209 1209 1211.7 1214.4 1208 1206 1211 1208.15 1208.2 1208.27 1208.44 1208.49 1208.6 1208.61 1208.77 1208.98 1209.09 1209.17 1209.6 1209.73 1209.82 1210.52 1210.54 1211.43 1211.44 1212.46 1212.51 1213.56 1213.78 1215.02 1216.54 1211 1211 1225 1208 1220 1215 1215 1220 1212 1202 1215 1215 1215 1215 1213 1209.8 1216 1210 1213 1218 1225 1211 1211 1213 1213 1226 1226 1212 1210 1216 1212 1210 1209 1225 1243 1208 1210 1228 1208 1210 1208 1207 1210 1222 1223 1228 1228 1221 1211 1213 1222 1220 1220 1211 1215 1220 1217 1214 1208 1215 1212 1207 1209 1210 1202 1212 1212.3 1225 1212 1208 1208 1216 1209 1212 1213 1203 1203 1209 1209 1211 1211 1204 1209 1210 1209 1207 1209 1215 1225 1216 |
| Other Experimental Properties | Oily liquid; boiling pt: 224.5 °C; specific gravity: 0.8850 20/4 °C; optical rotation: 5.33 deg at 20 °C /(+)-Form/ |
| 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 | 156.26 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 156.151415257 g/mol |
| Monoisotopic Mass | 156.151415257 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 112 |
| 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
Citronellol is a monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7. It has a role as a plant metabolite.