3-Phenyl-3-buten-1-yl acetate (CAS 7306-12-9) — Floral Top to Middle Note Fragrance Ingredient
3-Phenyl-3-buten-1-yl acetate
CAS 7306-12-9
What Is 3-Phenyl-3-buten-1-yl acetate?
3-Phenyl-3-buten-1-yl acetate is a synthetic fragrance ingredient used to add fruity, floral nuances to perfumes. It’s found in personal care products like body lotions and fabric softeners. This compound matters because it helps create long-lasting, complex scents that evolve beautifully on skin, offering perfumers a versatile tool for modern fragrance design.
Safety Profile
GENERALLY SAFEWhat Does 3-Phenyl-3-buten-1-yl acetate Smell Like?
A vibrant, fruity-floral aroma with a sparkling top note reminiscent of ripe strawberries and fresh lilacs. As it dries down, it reveals a subtle green undertone and a creamy, balsamic sweetness that lingers on the skin. The evolution is like biting into a juicy fruit that gradually mellows into a soft, powdery embrace.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the strawberry-lilac accord, adding longevity and a modern twist to a classic floral composition.
Provides a fruity freshness that complements the soapy-clean notes, making the scent more inviting and complex.
2D Molecular Structure
SMILES: CC(=O)OCCC(=C)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Phenyl-3-buten-1-yl acetate is an ester derivative, synthesized through the acetylation of 3-phenyl-3-buten-1-ol. Its structure features a phenyl group attached to a butenyl chain, which is esterified with acetic acid. This combination gives it both fruity and floral odor characteristics, making it a versatile ingredient in fragrance formulations.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds fruity-floral complexity |
| Personal Care | 1-3% | Up to 5% | Enhances freshness in lotions and soaps |
Classic Accords
Tip: Use in fruity-floral compositions to add depth and longevity.
Alternatives & Comparisons
A simpler ester with a more straightforward rosy-fruity scent, suitable for less complex formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic ingredient, its production can be controlled to minimize environmental impact. Sourcing is not dependent on natural resources, making it a sustainable choice for consistent quality and supply.
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References
- PubChem Compound Summary for 3-Phenyl-3-buten-1-yl acetate PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID4052473
Physical Properties
| Molecular Weight | 190.242 g/mol🔬 EPA CompTox |
| Density | 1.018 g/cm^3📊 OPERA |
| Boiling Point | 271.57 °C📊 OPERA |
| Melting Point | -4.071 °C📊 OPERA |
| Flash Point | 137.319 °C📊 OPERA |
| Refractive Index | 1.508 Dimensionless📊 OPERA |
| Molar Volume | 188.248 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.209 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.209 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.209 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.08 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.011 mmHg📊 OPERA |
| Viscosity | 4.128 cP📊 OPERA |
| Surface Tension | 34.566 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 | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 56.126 cm^3/mol📊 OPERA |
| Polarizability | 22.25 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.
