10-Undecenoic acid, heptyl ester (CAS 68141-27-5) — Floral Middle Note Fragrance Ingredient
10-Undecenoic acid, heptyl ester
CAS 68141-27-5
What Is 10-Undecenoic acid, heptyl ester?
10-Undecenoic acid, heptyl ester is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes to fruity, floral, or musky scent profiles. This ester is valued for its ability to enhance longevity and add subtle complexity to fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does 10-Undecenoic acid, heptyl ester Smell Like?
10-Undecenoic acid, heptyl ester offers a delicate fruity-floral character with subtle musky undertones. The scent evolves from a bright, slightly citrusy top note to a soft floral heart, settling into a clean, musky base. Its dry-down is smooth and persistent, making it useful for extending fragrance longevity without overpowering other notes.
2D Molecular Structure
SMILES: CCCCCCCOC(=O)CCCCCCCCC=C
Chemistry, Properties & Perfumer Guide
The Chemistry
10-Undecenoic acid, heptyl ester is a synthetic ester formed by the condensation of 10-undecenoic acid with heptanol. As an ester, it belongs to a class of compounds known for their fruity and floral odor characteristics. The synthesis typically involves acid-catalyzed esterification under controlled conditions.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as a modifier |
| Personal Care | 0.5-2% | Up to 3% | Adds subtle floral-musky notes |
Classic Accords
Tip: Use in small quantities to enhance floral notes without dominating the composition.
Alternatives & Comparisons
Offers similar fruity-floral characteristics with slightly higher volatility.
Provides comparable scent profile with enhanced fruity top notes.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
Limited safety assessment data available from RIFM.
Sustainability
As a synthetic ingredient, 10-Undecenoic acid, heptyl ester is produced through controlled chemical processes. Its environmental impact is relatively low compared to natural alternatives, with no known issues regarding sustainable sourcing or production methods.
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Physicochemical Properties
DTXSID: DTXSID9071189
Physical Properties
| Molecular Weight | 282.468 g/mol🔬 EPA CompTox |
| Density | 0.867 g/cm^3🔬 EPA CTX |
| Boiling Point | 332.062 °C📊 OPERA |
| Melting Point | -15 °C🔬 EPA CTX |
| Flash Point | 182 °C🔬 EPA CTX |
| Refractive Index | 1.449 Dimensionless📊 OPERA |
| Molar Volume | 324.233 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 7.297 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 7.297 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 7.297 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.96 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 5.291 cP📊 OPERA |
| Surface Tension | 29.516 dyn/cm📊 OPERA |
| Thermal Conductivity | 148.91 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 | 15 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 86.941 cm^3/mol📊 OPERA |
| Polarizability | 34.466 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.
