1,2,3,4,4a,7,8,8a-Octahydro-2,4a,5,8a-tetramethyl-1-naphthyl formate (CAS 65405-72-3) — Woody Middle Note Fragrance Ingredient
1,2,3,4,4a,7,8,8a-Octahydro-2,4a,5,8a-tetramethyl-1-naphthyl formate
CAS 65405-72-3
What Is 1,2,3,4,4a,7,8,8a-Octahydro-2,4a,5,8a-tetramethyl-1-naphthyl formate?
This synthetic fragrance ingredient is found in niche perfumes and some household products. It contributes to woody, ambery accords with subtle floral undertones. Though not widely recognized by name, it plays a supporting role in creating depth and longevity in modern fragrances.
Safety Profile
USE WITH AWARENESSWhat Does 1,2,3,4,4a,7,8,8a-Octahydro-2,4a,5,8a-tetramethyl-1-naphthyl formate Smell Like?
A complex woody-amber note with facets of dry cedar and faint floralcy. Opens with a crisp, slightly camphoraceous edge that softens into a warm, musky base. The formate ester lends a subtle fruity-floral nuance reminiscent of overripe apples. Dry-down reveals a persistent, skin-like musk with excellent tenacity.
2D Molecular Structure
SMILES: CC1CCC2(C)C(C)=CCCC2(C)C1OC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This bicyclic formate ester belongs to the terpenoid class, structurally related to damascones. Synthesized through esterification of octahydronaphthalene derivatives, it exhibits stereochemical complexity with multiple chiral centers. The formate group contributes to its moderate volatility and distinctive odor profile. While not found in nature, its molecular framework mimics certain woody-amber natural products.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Molecular Weight | Estimated ~250 g/mol |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Amber accord modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Base note fixative |
Classic Accords
Tip: Use sparingly in oriental bases to add dry woody complexity without overwhelming.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under current IFRA standards (as of 2023).
RIFM Assessment
Not currently evaluated by RIFM. Recommended for further safety assessment.
Sustainability
As a synthetic material, production avoids natural resource depletion. Manufacturing requires standard petrochemical feedstocks. Energy-intensive purification steps may impact carbon footprint. No known ecological toxicity concerns at typical usage levels.
Explore 1,2,3,4,4a,7,8,8a-Octahydro-2,4a,5,8a-tetramethyl-1-naphthyl formate
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: DTXSID90867144
Physical Properties
| Molecular Weight | 236.355 g/mol🔬 EPA CompTox |
| Density | 1.03 g/cm^3🔬 EPA CTX |
| Boiling Point | 294 °C🔬 EPA CTX |
| Melting Point | 8.849 °C📊 OPERA |
| Flash Point | 138 °C🔬 EPA CTX |
| Refractive Index | 1.495 Dimensionless📊 OPERA |
| Molar Volume | 237.11 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.413 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.413 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.413 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.26 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.004 mmHg🔬 EPA CTX |
| Surface Tension | 32.824 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.718 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 69.15 cm^3/mol📊 OPERA |
| Polarizability | 27.413 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.
