Dihydroterpinyl acetate (CAS 58985-18-5) — Woody Middle Note Fragrance Ingredient
Dihydroterpinyl acetate
CAS 58985-18-5
What Is Dihydroterpinyl acetate?
Dihydroterpinyl acetate is a synthetic fragrance ingredient used to add fresh, woody, and slightly citrusy notes to perfumes and household products. You’ll encounter it in air fresheners, fabric softeners, and some citrus-forward colognes. This versatile molecule matters because it provides long-lasting freshness without being overpowering, making it ideal for creating balanced scent profiles in everyday products.
Safety Profile
GENERALLY SAFEWhat Does Dihydroterpinyl acetate Smell Like?
Dihydroterpinyl acetate opens with a crisp, clean citrus-woody character reminiscent of freshly peeled lemon rind over cedar shavings. As it evolves, the scent softens into a pine-like heart with subtle floral undertones. The dry-down reveals a smooth, slightly sweet woody base with excellent tenacity. Its odor profile combines the freshness of terpenes with the rounded softness of acetate esters, creating a versatile building block for fresh fougères and modern citrus colognes.
2D Molecular Structure
SMILES: CC1CCC(CC1)C(C)(C)OC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Dihydroterpinyl acetate is a synthetic terpene derivative belonging to the ester class. It’s produced through hydrogenation of terpinyl acetate followed by acetylation. The molecule features a saturated bicyclic terpene backbone with an acetate ester group, contributing to its enhanced stability compared to its unsaturated precursor. While its exact stereochemistry varies by synthesis method, commercial products typically contain a mixture of isomers that collectively produce its characteristic odor profile.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Fresh woody modifier |
| Household Products | 0.5-2% | Up to 3% | Freshness booster |
Classic Accords
Tip: Use as a bridge between citrus top notes and woody base materials.
Alternatives & Comparisons
More floral and less woody character, suitable when brighter terpene notes are desired.
Offers similar freshness but with more pronounced citrus-lime character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA standards.
RIFM Assessment
No specific RIFM assessment found for this material.
Sustainability
As a synthetic material, dihydroterpinyl acetate doesn’t rely on natural resource extraction. Its production typically uses petrochemical precursors, though some manufacturers may employ bio-based starting materials. The environmental impact is comparable to other synthetic fragrance esters, with opportunities for green chemistry optimization in hydrogenation and acetylation processes.
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Physicochemical Properties
DTXSID: DTXSID6042446
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.924 g/cm^3📊 OPERA |
| Boiling Point | 224.505 °C📊 OPERA |
| Melting Point | 0.072 °C📊 OPERA |
| Flash Point | 84.125 °C📊 OPERA |
| Refractive Index | 1.448 Dimensionless📊 OPERA |
| Molar Volume | 212.68 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.454 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.454 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.454 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.84 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.082 mmHg📊 OPERA |
| Viscosity | 3.18 cP📊 OPERA |
| Surface Tension | 29.731 dyn/cm📊 OPERA |
| Thermal Conductivity | 122.025 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 | 56.981 cm^3/mol📊 OPERA |
| Polarizability | 22.589 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.
