2H-2,4a-Methanonaphthalene-8-ethanol, 1,3,4,5,6,8a-hexahydro-,1,1,5,5-pentamethyl- (CAS 1001252-30-7) — Citrus Heart Note Fragrance Ingredient
2H-2,4a-Methanonaphthalene-8-ethanol, 1,3,4,5,6,8a-hexahydro-_,1,1,5,5-pentamethyl-
CAS 1001252-30-7
What Is 2H-2,4a-Methanonaphthalene-8-ethanol, 1,3,4,5,6,8a-hexahydro-_,1,1,5,5-pentamethyl-?
This synthetic fragrance ingredient is a specialized molecule used by perfumers to create unique scent profiles. It’s found in niche and avant-garde fragrances pushing olfactory boundaries. While not commonly encountered in everyday products, it represents perfumery’s cutting edge where science meets artistry.
Safety Profile
PROFESSIONAL USEWhat Does 2H-2,4a-Methanonaphthalene-8-ethanol, 1,3,4,5,6,8a-hexahydro-_,1,1,5,5-pentamethyl- Smell Like?
2D Molecular Structure
SMILES: CC(CO)C1=CCC(C)(C)C23CCC(C2)C(C)(C)C13
Chemistry, Properties & Perfumer Guide
The Chemistry
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|
Classic Accords
Tip:
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
Sustainability
Explore 2H-2,4a-Methanonaphthalene-8-ethanol, 1,3,4,5,6,8a-hexahydro-_,1,1,5,5-pentamethyl-
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Ingredient Data Sheet
CAS 1001252-30-7Physical Properties
| Molecular Weight | 262.4 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.6🔬 PubChem |
| Boiling Point | 281 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0014 mmHg @ 25°C📊 OPERA |
| Flash Point | 118.8 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -1.035💻 Calculated |
| SMILES | CC(CO)C1=CCC(C23C1C(C(C2)CC3)(C)C)(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 7 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alcoholalkene💻 RDKit |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID701373520
Physical Properties
| Molecular Weight | 262.437 g/mol🔬 EPA CompTox |
| Density | 0.988 g/cm^3📊 OPERA |
| Boiling Point | 293.106 °C📊 OPERA |
| Melting Point | 101.391 °C📊 OPERA |
| Flash Point | 126.449 °C📊 OPERA |
| Refractive Index | 1.525 Dimensionless📊 OPERA |
| Molar Volume | 262.35 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.219 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.219 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.219 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.81 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Surface Tension | 34.932 dyn/cm📊 OPERA |
| Thermal Conductivity | 118 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 80.434 cm^3/mol📊 OPERA |
| Polarizability | 31.887 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.
