106-23-0
Product Name:
Citronellal
Formula:
C10H18O
Synonyms:
(±)-3,7-Dimethyl-6-octenal;3.7-Dimethyl-6-octenal;Citronellal
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless to slightly yellow liquid with a strong flowery lemon odor; [HSDB] |
|---|---|
| Color/Form | Needles or orthorhombic crystals |
| Odor | Intense lemon-citronella-rose odor |
| Boiling Point | 205 °C |
| Melting Point | 147 °C |
| Flash Point | 165 °F (74 °C) (CLOSED CUP) |
| Solubility | Slightly soluble in water |
| Density | 0.853 g/cu cm at 20 °C |
| Vapor Pressure | 0.28 [mmHg] |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Optical Rotation | Specific optical rotation: +13.09 deg at 18 °C/D; max absorption (alcohol): 235 nm (log e = 1.93); 290 nm shoulder (log e = 1.08) /d-Citronellal/ |
| Refractive Index | Index of refraction: 1.446 at 20 °C/D |
| Kovats Retention Index | 1132 1133 1131 1159 1132 1132 1134 1134 1131 1138 1138 1130 1130 1134 1138 1130 1130 1130 1130 1130 1146 1132 1135 1135 1133 1134 1134 1135.2 1138 1134 1138 1122.3 1146 1143 1129 1130 1150 1124 1156 1125 1138 1134 1130 1128 1129 1138 1153 1142 1130 1127 1130 1131 1131 1131 1130 1147 1141 1135 1141 1141 1128 1141 1131 1136 1134 1126 1130 1132 1132 1132 1130 1137.3 1121 1121 1137 1146 1137 1138 1131 1131 1134 1137 1132 1135 1128 1137 1132 1135 1137 1136 |
| Other Experimental Properties | log Kow = 3.83 /6-Octenal, 3,7-dimethyl-, (R)-/ |
| 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 | 154.25 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 154.135765193 g/mol |
| Monoisotopic Mass | 154.135765193 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 132 |
| 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
Citronellal is a monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma. It has a role as a metabolite and an antifungal agent. It is a monoterpenoid and an aldehyde.