Pentanedioic acid, 1,5-dimethyl ester (CAS 1119-40-0) — Sweet Top Note Fragrance Ingredient
Pentanedioic acid, 1,5-dimethyl ester
CAS 1119-40-0
What Is Pentanedioic acid, 1,5-dimethyl ester?
Pentanedioic acid, 1,5-dimethyl ester is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes to fruity and floral scent profiles. This ester is valued for its ability to enhance freshness and add complexity to fragrance compositions without being overpowering.
Safety Profile
GENERALLY SAFEWhat Does Pentanedioic acid, 1,5-dimethyl ester Smell Like?
Pentanedioic acid, 1,5-dimethyl ester offers a crisp, fruity aroma reminiscent of green apples and pears with a subtle floral undertone. Its top note is bright and slightly tart, evolving into a smoother, sweeter heart. The dry-down is clean and slightly musky, making it versatile in fresh and floral compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the fruity top notes, adding a crisp apple-like freshness that blends seamlessly with floral heart notes.
Provides a subtle fruity-floral accent that lifts the composition without overpowering the delicate floral bouquet.
2D Molecular Structure
SMILES: COC(=O)CCCC(=O)OC
Chemistry, Properties & Perfumer Guide
The Chemistry
Pentanedioic acid, 1,5-dimethyl ester is a diester derived from pentanedioic acid. It is synthesized through esterification reactions, often using methanol. The molecule is known for its stability and low reactivity, making it a reliable ingredient in fragrance formulations. Its synthetic origin allows for consistent quality and purity.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds fruity freshness |
| Personal Care | 0.5-3% | Up to 5% | Enhances floral notes |
Classic Accords
Tip: Use in small amounts to avoid overpowering the composition.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
RIFM Assessment
No significant safety concerns identified by RIFM.
Sustainability
As a synthetic ingredient, it is produced in controlled environments with minimal environmental impact. Consistent sourcing ensures reliability without depleting natural resources.
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References
- PubChem Compound Summary for Pentanedioic acid, 1,5-dimethyl ester PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID3025122
Physical Properties
| Molecular Weight | 160.169 g/mol🔬 EPA CompTox |
| Density | 1.088 g/cm^3🔬 EPA CTX |
| Boiling Point | 190.05 °C🔬 EPA CTX |
| Melting Point | -39.556 °C🔬 EPA CTX |
| Flash Point | 104.353 °C🔬 EPA CTX |
| Refractive Index | 1.418 Dimensionless📊 OPERA |
| Molar Volume | 151.047 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.914 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.697 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.697 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.52 Log10 unitless📊 OPERA |
| Water Solubility | 0.369 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.116 mmHg🔬 EPA CTX |
| Viscosity | 1.23 cP📊 OPERA |
| Surface Tension | 32.368 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.61 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 52.6 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 38.029 cm^3/mol📊 OPERA |
| Polarizability | 15.076 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.
