1,7,7-Trimethylbicyclo[4.4.0]dec-3-yl acetate (CAS 24238-95-7) — Woody Middle Note Fragrance Ingredient
1,7,7-Trimethylbicyclo[4.4.0]dec-3-yl acetate
CAS 24238-95-7
What Is 1,7,7-Trimethylbicyclo[4.4.0]dec-3-yl acetate?
1,7,7-Trimethylbicyclo[4.4.0]dec-3-yl acetate is a synthetic fragrance ingredient used in perfumery. It’s found in various personal care products and fine fragrances, contributing to complex scent profiles. This molecule matters because it helps perfumers create unique olfactory experiences, often adding depth and longevity to fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does 1,7,7-Trimethylbicyclo[4.4.0]dec-3-yl acetate Smell Like?
This synthetic molecule offers a complex olfactory profile with woody, earthy, and slightly camphoraceous notes. It evolves from a fresh, crisp opening to a deeper, more resinous heart, settling into a warm, woody base. The scent is reminiscent of aged cedarwood with a hint of pine, making it versatile for masculine and unisex fragrances.
2D Molecular Structure
SMILES: CC(=O)OC1CCC2C(C)(C)CCCC2(C)C1
Chemistry, Properties & Perfumer Guide
The Chemistry
1,7,7-Trimethylbicyclo[4.4.0]dec-3-yl acetate is a synthetic bicyclic ester derived from camphene. Its structure features a rigid bicyclic framework with acetate functionality, contributing to its volatility and scent profile. The molecule is typically synthesized through esterification reactions of bicyclic alcohols with acetic anhydride under controlled conditions.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody depth |
| Personal Care | 0.5-2% | Up to 3% | Used in moderation |
Classic Accords
Tip: Use as a modifier to enhance woody accords without overpowering floral notes.
Alternatives & Comparisons
Similar woody-camphoraceous profile but with higher volatility, suitable for brighter compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions.
RIFM Assessment
Currently under review by RIFM.
Sustainability
As a synthetic ingredient, this molecule is produced through controlled chemical processes with minimal environmental impact compared to natural alternatives. Its production doesn’t rely on endangered plant sources, making it a sustainable choice for modern perfumery.
Explore 1,7,7-Trimethylbicyclo[4.4.0]dec-3-yl acetate
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 24238-95-7Physical Properties
| Molecular Weight | 238.37 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.5🔬 PubChem |
| Boiling Point | 265 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0044 mmHg @ 25°C📊 OPERA |
| Flash Point | 122.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0003💻 Calculated |
| log Kp (skin permeability) | -0.959💻 Calculated |
| SMILES | CC(=O)OC1CCC2C(CCCC2(C1)C)(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| Functional Groups | esterether💻 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: DTXSID2051899
Physical Properties
| Molecular Weight | 238.371 g/mol🔬 EPA CompTox |
| Density | 0.967 g/cm^3📊 OPERA |
| Boiling Point | 267.054 °C📊 OPERA |
| Melting Point | 47.546 °C📊 OPERA |
| Flash Point | 129.461 °C📊 OPERA |
| Refractive Index | 1.48 Dimensionless📊 OPERA |
| Molar Volume | 243.784 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.356 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.356 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.356 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.26 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.004 mmHg📊 OPERA |
| Viscosity | 8.802 cP📊 OPERA |
| Surface Tension | 31.636 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.742 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 69.24 cm^3/mol📊 OPERA |
| Polarizability | 27.449 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.
