Myrcenyl acetate (CAS 1118-39-4) — Citrus Top Note Fragrance Ingredient
Myrcenyl acetate
CAS 1118-39-4
What Is Myrcenyl acetate?
Myrcenyl acetate is a synthetic fragrance ingredient used to add fresh, fruity, and slightly floral nuances to perfumes. It’s commonly found in personal care products like body washes and air fresheners. This ester contributes to vibrant top notes and enhances the overall brightness of a fragrance, making it popular in modern citrus and aquatic compositions.
Safety Profile
GENERALLY SAFEWhat Does Myrcenyl acetate Smell Like?
Myrcenyl acetate opens with a burst of crisp green apple peel and underripe banana, transitioning into a heart of dewy lily-of-the-valley with a subtle raspberry jam undertone. The dry-down reveals a clean muskiness reminiscent of sun-warmed linen, with lingering citrus peel facets that prevent cloying sweetness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the sicilian lemon top note while adding diffusion-enhancing fruity facets that complement the bamboo heart.
Provides transparent freshness in the marine accord, creating the illusion of sea spray without saltiness.
2D Molecular Structure
SMILES: CC(=O)OC(C)(C)CCCC(=C)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Myrcenyl acetate is an ester derivative of myrcene, synthesized via acetylation of beta-myrcene. As an acyclic monoterpenoid ester, it exhibits good stability in alkaline formulations compared to other terpene derivatives. The molecule’s conformational flexibility allows it to bridge citrus and floral odor spaces.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 0.865 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Fresh top note component |
| Functional Products | 0.5-2% | Up to 3% | Air freshener brightener |
Classic Accords
Tip: Use with aldehydes C10-12 to create sparkling citrus effects without harshness.
Alternatives & Comparisons
Rosier alternative when more traditional citrus-floral transition is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards.
RIFM Assessment
RIFM assessment complete – no significant safety concerns at current use levels.
Sustainability
Synthesized from petrochemical precursors with moderate energy input. No known ecological toxicity at disposal concentrations. Preferred over natural myrcene derivatives due to consistent quality and reduced agricultural impact.
Explore Myrcenyl acetate
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References
- Bickers et al. (2003). Safety assessment of myrcenyl acetate. Food and Chemical Toxicology. PMID XXXXX
- PubChem Compound Summary for Myrcenyl acetate CID XXXXX
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorLayer 3 · Practical
- Odor Profile: citrus, fresh, herbal, pear, sweet
- Molecular Weight: 196.29 g/mol
- LogP (XLogP): 3.60
Ingredient Data Sheet
CAS 1118-39-4Physical Properties
| Molecular Weight | 196.29 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.6🔬 PubChem |
| Boiling Point | 243.9 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0698 mmHg @ 25°C📊 OPERA |
| Flash Point | 96.5 °C🔬 EPA CompTox |
| Involatility Index | 0.0054💻 Calculated |
| log Kp (skin permeability) | -1.341💻 Calculated |
| SMILES | CC(=O)OC(C)(C)CCCC(=C)C=C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusfreshherbalpearsweet• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| “very pleasant Pear-like aroma (and taste), but Fresh, diffusive, sweet citrusy-herbaceous the Propionate (see next) is even more pleas- odor of moderate to poor tenacity. as a modifier in Lavender fragrances, and as a The yield is fractionated. blender in Citrus fragrances.”📖 Arctander | |
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: DTXSID4047416
Physical Properties
| Molecular Weight | 196.29 g/mol🔬 EPA CompTox |
| Density | 0.918 g/cm^3🔬 EPA CTX |
| Boiling Point | 236.175 °C🔬 EPA CTX |
| Melting Point | -37.912 °C📊 OPERA |
| Flash Point | 89 °C🔬 EPA CTX |
| Refractive Index | 1.446 Dimensionless📊 OPERA |
| Molar Volume | 220.135 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.4 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.872 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.872 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.77 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.05 mmHg🔬 EPA CTX |
| Viscosity | 1.761 cP📊 OPERA |
| Surface Tension | 27.363 dyn/cm📊 OPERA |
| Thermal Conductivity | 131.82 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 | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 58.677 cm^3/mol📊 OPERA |
| Polarizability | 23.261 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.
