Diethylene glycol (CAS 111-46-6) — Sweet N/A Note Fragrance Ingredient
Diethylene glycol
CAS 111-46-6
What Is Diethylene glycol?
Diethylene glycol is a synthetic solvent commonly used in industrial applications like antifreeze and hydraulic fluids. It’s not typically found in consumer products due to safety concerns. While chemically similar to some cosmetic ingredients, it serves no legitimate purpose in fragrances and has been involved in poisoning incidents when improperly substituted for safer glycols.
Safety Profile
PROFESSIONAL USEWhat Does Diethylene glycol Smell Like?
Diethylene glycol is nearly odorless with only a faint, slightly sweet chemical character. It lacks the aromatic qualities desirable in perfumery. Any noticeable scent would be described as mildly alcoholic with waxy undertones, completely lacking in the complexity or evolution expected of fragrance materials.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: OCCOCCO
Chemistry, Properties & Perfumer Guide
The Chemistry
Diethylene glycol is an organic compound with the formula (HOCH2CH2)2O. It’s produced industrially by partial hydrolysis of ethylene oxide. As a diester of ethylene glycol, it shares some physical properties with fragrance glycols but differs critically in toxicology. The molecule contains two ether linkages and terminal hydroxyl groups, contributing to its hygroscopic nature and solvent capabilities.
Physical & Chemical Properties
| Boiling Point | 245 °C |
|---|---|
| Density | 1.118 g/cm³ |
| Viscosity | 30 mPa·s at 20°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial | 0% | 0% | Not for fragrance use |
Classic Accords
Tip: This material should never be used in fragrance formulations – substitute with approved glycols like dipropylene glycol.
Alternatives & Comparisons
A safe solvent with similar physical properties, approved for cosmetic use as a fragrance carrier and humectant.
Common cosmetic solvent with excellent safety profile, used as a base for fragrance extracts.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not listed by IFRA – prohibited for use in fragrances due to toxicity concerns.
GHS Classification
RIFM Assessment
RIFM maintains this material as prohibited for fragrance use due to systemic toxicity risks.
Sustainability
Diethylene glycol production is energy-intensive like most petrochemical derivatives. Its industrial applications focus on closed-loop systems to prevent environmental release. The fragrance industry has completely phased out its use in favor of safer, more sustainable glycol alternatives with better environmental profiles.
Explore Diethylene glycol
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References
- WHO (2008). Diethylene glycol poisoning. WHO Report
- OECD SIDS (2002). Diethylene glycol. OECD SIDS
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID8020462
Physical Properties
| Molecular Weight | 106.121 g/mol🔬 EPA CompTox |
| Density | 1.118 g/cm^3🔬 EPA CTX |
| Boiling Point | 245.15 °C🔬 EPA CTX |
| Melting Point | -9.385 °C🔬 EPA CTX |
| Flash Point | 137.262 °C🔬 EPA CTX |
| Refractive Index | 1.442 Dimensionless📊 OPERA |
| Molar Volume | 95.937 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | -0.085 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | -1.877 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -1.172 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.13 Log10 unitless📊 OPERA |
| Water Solubility | 9.43 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.009 mmHg🔬 EPA CTX |
| Viscosity | 18.88 cP📊 OPERA |
| Surface Tension | 40.016 dyn/cm📊 OPERA |
| Thermal Conductivity | 191.896 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 49.69 Ų💻 Computed |
| H-Bond Donors | 2 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 25.395 cm^3/mol📊 OPERA |
| Polarizability | 10.068 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.
