Hexanedioic acid, dioctyl ester (CAS 123-79-5) — Citrus Base Note Fragrance Ingredient
Hexanedioic acid, dioctyl ester
CAS 123-79-5
What Is Hexanedioic acid, dioctyl ester?
Hexanedioic acid, dioctyl ester is a synthetic fragrance ingredient used as a fixative in perfumes and personal care products. It helps scents last longer on skin. This odorless compound works behind the scenes to enhance fragrance performance without contributing its own scent character.
Safety Profile
GENERALLY SAFEWhat Does Hexanedioic acid, dioctyl ester Smell Like?
Hexanedioic acid, dioctyl ester is odorless to most people, functioning purely as a technical ingredient. Some trained perfumers may detect a faint waxy, plastic-like character at high concentrations. Its primary role is extending fragrance longevity by slowing the evaporation of more volatile components.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as an invisible backbone in this technical composition to demonstrate fixative properties without altering scent profiles.
2D Molecular Structure
SMILES: CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Hexanedioic acid, dioctyl ester is a diester formed from adipic acid and octanol. As a synthetic ester, it exhibits excellent stability and low volatility. The long carbon chains provide hydrophobic character, making it useful for slowing fragrance evaporation. Production typically involves acid-catalyzed esterification under controlled conditions.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Fixative base |
| Functional Fragrance | 0.5-2% | Up to 3% | Longevity enhancer |
Classic Accords
Tip: Use sparingly as excessive amounts may dull top notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic material, production can be optimized for minimal environmental impact. Being petroleum-derived, manufacturers are exploring bio-based alternatives.
Explore Hexanedioic acid, dioctyl ester
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- PubChem Compound Summary for Hexanedioic acid, dioctyl ester PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID2021606
Physical Properties
| Molecular Weight | 370.574 g/mol🔬 EPA CompTox |
| Density | 0.921 g/cm^3📊 OPERA |
| Boiling Point | 400.92 °C🔬 EPA CTX |
| Melting Point | -43.81 °C🔬 EPA CTX |
| Flash Point | 191.92 °C🔬 EPA CTX |
| Refractive Index | 1.452 Dimensionless📊 OPERA |
| Molar Volume | 398.648 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 7.488 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 7.488 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 7.488 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 10.26 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 13.031 cP📊 OPERA |
| Surface Tension | 31.805 dyn/cm📊 OPERA |
| Thermal Conductivity | 155.978 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 | 19 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 107.522 cm^3/mol📊 OPERA |
| Polarizability | 42.625 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.
![8-Ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol (CAS 84681-92-5) — Woody Base Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/8-ethyl-1-5-dimethylbicyclo-3-2-1-octan-8-ol-1-768x439.webp)
