2-Propen-1-ol, 2-methyl-3-(4-methylphenyl)-, (2E)- (CAS 56138-10-4) — Green Top Note Fragrance Ingredient
2-Propen-1-ol, 2-methyl-3-(4-methylphenyl)-, (2E)-
CAS 56138-10-4
What Is 2-Propen-1-ol, 2-methyl-3-(4-methylphenyl)-, (2E)-?
2-Propen-1-ol, 2-methyl-3-(4-methylphenyl)-, (2E)- is a synthetic fragrance ingredient used to add fresh, green, and slightly floral nuances to perfumes. It’s commonly found in modern floral and aquatic fragrances. This molecule helps create crisp top notes that evolve into a subtle woody base, making it valuable for perfumers seeking longevity with a clean profile.
Safety Profile
USE WITH AWARENESSWhat Does 2-Propen-1-ol, 2-methyl-3-(4-methylphenyl)-, (2E)- Smell Like?
This molecule opens with a sharp, green freshness reminiscent of crushed leaves, evolving into a delicate floral heart with a hint of citrus. The dry-down reveals a subtle woody undertone, creating a clean, modern scent profile. Its behavior is linear yet nuanced, making it versatile in compositions.
2D Molecular Structure
SMILES: C\C(CO)=C/C1=CC=C(C)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Propen-1-ol, 2-methyl-3-(4-methylphenyl)-, (2E)- is a synthetic alcohol derivative used in perfumery for its fresh-green character. It belongs to the phenylpropanoid class, though it is typically synthesized rather than extracted from natural sources. The (2E)- configuration is crucial for its odor profile, as geometric isomers often exhibit different scent characteristics.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds fresh top notes |
| Functional Fragrance | 0.5-2% | Up to 3% | Used in detergents and cleaners |
Classic Accords
Tip: Use in small amounts to enhance freshness without overpowering the composition.
Alternatives & Comparisons
Provides stronger citrus-green notes but requires careful handling due to sensitization potential.
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.
GHS Classification
RIFM Assessment
No RIFM safety assessment currently available.
Sustainability
As a synthetic molecule, its production is typically petroleum-based. Efforts to develop greener synthesis routes are ongoing, but currently it has a moderate environmental footprint compared to natural extracts.
Explore 2-Propen-1-ol, 2-methyl-3-(4-methylphenyl)-, (2E)-
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References
- PubChem Compound Summary CID N/A
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID60884702
Physical Properties
| Molecular Weight | 162.232 g/mol🔬 EPA CompTox |
| Density | 1.01 g/cm^3🔬 EPA CTX |
| Boiling Point | 273.475 °C📊 OPERA |
| Melting Point | 55.341 °C📊 OPERA |
| Flash Point | 139.2 °C🔬 EPA CTX |
| Refractive Index | 1.574 Dimensionless📊 OPERA |
| Molar Volume | 160.498 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 123.695 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.316 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.406 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.78 Log10 unitless📊 OPERA |
| Water Solubility | 0.007 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 5.512 cP📊 OPERA |
| Surface Tension | 37.701 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 52.978 cm^3/mol📊 OPERA |
| Polarizability | 21.002 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.
