Myraldyl acetate (CAS 72403-67-9) — Floral Top to Heart Note Fragrance Ingredient
Myraldyl acetate
CAS 72403-67-9
What Is Myraldyl acetate?
Myraldyl acetate is a synthetic fragrance ingredient used in perfumes and scented products to add a fresh, floral dimension. It’s often found in modern floral and citrus compositions. This molecule matters because it helps perfumers create airy, diffusive top notes that lift heavier floral accords, making fragrances feel more vibrant and contemporary.
Safety Profile
GENERALLY SAFEWhat Does Myraldyl acetate Smell Like?
Myraldyl acetate opens with a crisp, almost metallic freshness reminiscent of crushed green stems, evolving into a transparent floralcy like dew-covered petals at dawn. Its dry-down reveals a subtle woody-musk undertone that prevents the floral character from becoming cloying. The overall effect is like sunlight filtering through a greenhouse – vibrant yet controlled, with a clean diffusion that lingers without overwhelming.
2D Molecular Structure
SMILES: CC(C)=CCCC1=CCCC(COC(C)=O)C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Myraldyl acetate belongs to the class of synthetic floral esters, structurally related to phenylpropanoids. While its exact molecular structure isn’t publicly documented in chemical databases, it’s known to be synthesized through esterification processes typical for fragrance alcohols. The acetate group enhances volatility while moderating the parent alcohol’s intensity, creating a material that bridges top-to-heart note transitions in modern floral compositions.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Floral top note enhancer |
| Functional Fragrance | 0.1-1% | Up to 3% | Freshness booster |
Classic Accords
Tip: Use to add diffusion to white floral bases without increasing sweetness.
Alternatives & Comparisons
For a more pronounced rosy floral character with similar volatility but less green nuance.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
Not currently evaluated by RIFM due to limited commercial use data.
Sustainability
As a synthetic material, Myraldyl acetate’s environmental impact depends on manufacturing processes. Being produced in controlled facilities reduces land-use pressures compared to natural alternatives, but energy requirements for synthesis should be considered. Its moderate persistence requires proper wastewater management during production.
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Layer 3 · Practical
- Molecular Weight: 236.35 g/mol
- LogP (XLogP): 3.70
- IFRA: RESTRICTION
- cat_1: 0.0770%
- cat_10a: 3.0000%
- cat_10b: 3.0000%
- cat_11a: 1.7000%
- cat_11b: 1.7000%
- cat_2: 0.0230%
- cat_3: 0.4600%
- cat_4: 0.4300%
- cat_5a: 0.1100%
- cat_5b: 0.1100%
- cat_5c: 0.1100%
- cat_5d: 0.1100%
- cat_6: 0.2500%
- cat_7a: 0.8800%
- cat_7b: 0.8800%
- cat_8: 0.0450%
- cat_9: 0.8400%
Physicochemical Properties
DTXSID: DTXSID5052466
Physical Properties
| Molecular Weight | 236.355 g/mol🔬 EPA CompTox |
| Density | 0.95 g/cm^3🔬 EPA CTX |
| Boiling Point | 297 °C🔬 EPA CTX |
| Melting Point | 18.439 °C📊 OPERA |
| Flash Point | 107.25 °C📊 OPERA |
| Refractive Index | 1.473 Dimensionless📊 OPERA |
| Molar Volume | 252.316 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.65 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.738 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.738 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.46 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 5.475 cP📊 OPERA |
| Surface Tension | 29.953 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.669 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 | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 70.763 cm^3/mol📊 OPERA |
| Polarizability | 28.053 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.
