Carbonic acid, 2-hydroxypropyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester (CAS 260781-16-6) — Woody Base Note Fragrance Ingredient
Carbonic acid, 2-_hydroxypropyl (1R,_2S,_5R)_-_5-_methyl-_2-_(1-_methylethyl)_cyclohexyl ester
CAS 260781-16-6
What Is Carbonic acid, 2-_hydroxypropyl (1R,_2S,_5R)_-_5-_methyl-_2-_(1-_methylethyl)_cyclohexyl ester?
Carbonic acid, 2-hydroxypropyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester is a synthetic fragrance ingredient used in niche perfumery for its unique aromatic properties. It is encountered in high-end fragrances where complex, long-lasting scent profiles are desired. This ingredient matters because it offers perfumers a versatile tool for creating sophisticated accords with excellent stability and diffusion.
Safety Profile
GENERALLY SAFEWhat Does Carbonic acid, 2-_hydroxypropyl (1R,_2S,_5R)_-_5-_methyl-_2-_(1-_methylethyl)_cyclohexyl ester Smell Like?
This synthetic ester delivers a nuanced olfactory profile, opening with a crisp, slightly citrusy top note that evolves into a heart of warm, woody nuances with a hint of spice. The dry-down reveals a smooth, balsamic character that lingers subtly on the skin, providing excellent tenacity and depth.
2D Molecular Structure
SMILES: CC(O)COC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
This compound is a synthetic ester derived from carbonic acid and a menthol derivative. It belongs to the class of cyclic carbonates, known for their stability and unique scent profiles. The synthesis typically involves the reaction of a diol with phosgene or a carbonate equivalent, followed by purification to achieve the desired stereochemistry.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds depth and longevity |
| Functional Fragrance | 0.5-2% | Up to 5% | Used for stability |
Classic Accords
Tip: Use in base notes to enhance woody and balsamic accords.
Alternatives & Comparisons
A simpler analog with similar woody-balsamic properties but less complexity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
No RIFM safety assessment currently available.
Sustainability
As a synthetic ingredient, its production is controlled and does not rely on natural resources. Environmental impact depends on the synthesis route and waste management practices.
Explore Carbonic acid, 2-_hydroxypropyl (1R,_2S,_5R)_-_5-_methyl-_2-_(1-_methylethyl)_cyclohexyl ester
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Physicochemical Properties
DTXSID: DTXSID5074399
Physical Properties
| Molecular Weight | 258.358 g/mol🔬 EPA CompTox |
| Density | 1.014 g/cm^3🔬 EPA CTX |
| Boiling Point | 320.514 °C📊 OPERA |
| Melting Point | 30.162 °C📊 OPERA |
| Flash Point | 153 °C🔬 EPA CTX |
| Refractive Index | 1.469 Dimensionless📊 OPERA |
| Molar Volume | 250.922 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.72 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.669 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.784 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.25 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 22.278 cP📊 OPERA |
| Surface Tension | 33.736 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 55.76 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 69.844 cm^3/mol📊 OPERA |
| Polarizability | 27.688 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
