Dihydrocoumarin (CAS 119-84-6) — Sweet Base Note Fragrance Ingredient
Dihydrocoumarin
CAS 119-84-6
What Is Dihydrocoumarin?
Dihydrocoumarin is a synthetic fragrance ingredient with a sweet, hay-like scent, often used in perfumes and flavored products. It mimics natural coumarin found in tonka beans but with reduced phototoxicity. This ingredient matters because it provides warm, vanilla-like undertones without the regulatory restrictions of natural coumarin, making it versatile in modern perfumery.
Safety Profile
GENERALLY SAFE
What Does Dihydrocoumarin Smell Like?
Dihydrocoumarin opens with a sweet, hay-like aroma reminiscent of sun-dried grass, evolving into a creamy vanilla heart with subtle almond nuances. The dry-down reveals a warm, woody-balsamic character that lingers softly, like the comforting scent of old books stored in a cedar chest.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used for its sweet, hay-like facets that complement the lavender-citrus opening, adding warmth to the vanilla-amber base.
Provides a sweet counterpoint to the oakmoss and coumarin, enhancing the classic fougère structure.
2D Molecular Structure
SMILES: O=C1CCC2=C(O1)C=CC=C2
Chemistry, Properties & Perfumer Guide
The Chemistry
Dihydrocoumarin (C9H8O2) is a saturated lactone derived from coumarin via hydrogenation. It lacks the conjugated double bond system of coumarin, reducing phototoxicity while maintaining similar olfactory properties. Industrially produced via catalytic hydrogenation of coumarin or from o-coumaric acid derivatives.
Physical & Chemical Properties
| Boiling Point | 272 °C |
|---|---|
| Melting Point | 25 °C |
| Density | 1.186 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds sweet warmth |
| Soaps | 0.5-1% | Up to 2% | Stable in alkaline media |
Classic Accords
+ Oakmoss + Lavender = Fougère
Tip: Use to sweeten woody bases without overpowering floral compositions.
Alternatives & Comparisons
Natural alternative with stronger scent but phototoxic restrictions.
For sweeter caramel-like effects without the hay nuance.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
Not restricted under current IFRA standards.
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
Synthetic production avoids overharvesting of tonka beans. Manufacturing typically uses petrochemical precursors, though green chemistry routes are being explored using bio-based feedstocks.
Explore Dihydrocoumarin
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Industry & Science Data
References
- Bickers et al. (2005). Safety assessment of coumarin derivatives. Food and Chemical Toxicology. PMID 16112333
- PubChem Compound Summary for Dihydrocoumarin CID 8358
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Ingredient Data Sheet
CAS 119-84-6Physical Properties
| Molecular Weight | 148.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.6🔬 PubChem |
| Boiling Point | 272.2 °C🔬 EPA CompTox |
| Vapor Pressure | 13.4 mmHg @ 25°C📊 OPERA |
| Flash Point | 130 °C🔬 EPA CompTox |
| Involatility Index | 1.1865💻 Calculated |
| log Kp (skin permeability) | -2.468💻 Calculated |
| SMILES | C1CC(=O)OC2=CC=CC=C21🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | coumarinichaynuttysweettobacco• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Sweet-herbaceous, nutlike, haylike odor, usually described as "coumarinic" or "tobacco-like".”📖 Arctander | |
| Dihydrocoumarin has an odor similar to coumarin at room temperature or reminiscent of nitrobenzene at higher temperature. It has a burning taste.📖 Fenaroli | |
Flavor Notes (Arctander)
| “The taste is sweet, caramellic-nutlike, herbaceous. It is very close to Coumarin as far as type is concerned. The Dihydrocoumarin was recommended as a "Coumarin substitute" in the first few years after the ban on Coumarin as a food flavor chemical in the U.S.A. It has a little of Coumarin's ability ”📖 Arctander |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
| FEMA Number | FEMA 2381⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
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: DTXSID2020474
Physical Properties
| Molecular Weight | 148.161 g/mol🔬 EPA CompTox |
| Density | 1.19 g/cm^3🔬 EPA CTX |
| Boiling Point | 266.17 °C🔬 EPA CTX |
| Melting Point | 20.563 °C🔬 EPA CTX |
| Flash Point | 123.667 °C🔬 EPA CTX |
| Refractive Index | 1.562 Dimensionless📊 OPERA |
| Molar Volume | 123.804 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.82 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.425 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.425 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.75 Log10 unitless📊 OPERA |
| Water Solubility | 0.02 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 32.204 mmHg🔬 EPA CTX |
| Viscosity | 4.409 cP📊 OPERA |
| Surface Tension | 43.546 dyn/cm📊 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 | 0 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 40.163 cm^3/mol📊 OPERA |
| Polarizability | 15.922 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.
