Hydroxycitronellal, IUPAC name: 3,7-Dimethyl-7-hydroxyoctanal, CAS#107-75-5
Hydroxycitronellal is a classic synthetic aroma aldehyde widely applied in global fragrance industry. It delivers an intense, sweet, elegant floral lily / lily-of-the-valley (muguet) odor with subtle fresh green undertones, featuring good diffusion and excellent fragrance tenacity in finished formulations.
Multiple mature manufacturing routes are available for commercial production. It may be prepared by hydration of natural citronellal extracted from Java citronella or Eucalyptus citriodora. Another synthetic pathway starts from β-pinene, which is converted to myrcene. Upon hydration, myrcene produces either linalool or a mixture of geraniol and nerol. The geraniol/nerol blend can be hydrogenated into citronellol, then further converted sequentially to citronellal and finally hydroxycitronellal. An alternative synthetic method is the hydrogenation of 3,7-dimethyl-7-hydroxy-2-octen-2-al using palladium carbon as catalyst in ethyl acetate solvent.
Physically, it is a colorless clear oily liquid. It dissolves freely in ethanol and fatty oils while sparingly soluble in water and glycerin. It blends harmoniously with rose, musk, sandalwood and citrus aroma chemicals, widely adopted in fine perfumes, cosmetic fragrances, body care products, soaps and household detergents. It can also be used in limited proportion for food flavouring for citrus and melon flavour systems complying with relevant standards.
Handling note: This substance is a known fragrance allergen and skin irritant. It must be used in compliance with IFRA regulatory limits. Wear suitable gloves and eye protection during operation. Store in tightly sealed containers under cool and dark conditions, away from heat sources and oxidizing agents to prevent oxidation deterioration.
| 3,7-Dimethyl-7-hydroxyoctanal Chemical Properties |
| Melting point | 22-23 °C |
| Boiling point | 257 °C(lit.) |
| density | 0.923 g/mL at 25 °C(lit.) |
| vapor pressure | 0.547Pa at 20℃ |
| refractive index | n |
| FEMA | 2583 | HYDROXYCITRONELLAL |
| Fp | >230 °F |
| storage temp. | Inert atmosphere,Store in freezer, under -20°C |
| solubility | Benzene (Slightly), Chloroform (Slightly), Methanol (Slightly) |
| pka | 15.31±0.29(Predicted) |
| form | Liquid |
| color | Clear colorless |
| Specific Gravity | 0.93 |
| Odor | at 100.00 %. floral lily sweet green waxy tropical melon |
| Odor Type | floral |
| biological source | synthetic |
| Water Solubility | 35g/L at 20℃ |
| JECFA Number | 611 |
| Stability: | Air Sensitive |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3 |
| InChIKey | WPFVBOQKRVRMJB-UHFFFAOYSA-N |
| SMILES | [H]C(=O)CC(C)CCCC(C)(C)O |
| LogP | 1.68 at 25℃ |
| CAS DataBase Reference | 107-75-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Hydroxycitronellal(107-75-5) |
| EPA Substance Registry System | Octanal, 7-hydroxy-3,7-dimethyl- (107-75-5) |
| Safety Information |
| Hazard Codes | Xi |
| Risk Statements | 38-41-43 |
| Safety Statements | 26-39-36/37 |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 1 |
| RTECS | RG7850000 |
| TSCA | TSCA listed |
| HS Code | 29124990 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 |
