1,2-Octanediol (CAS 1117-86-8) — Woody None Note Fragrance Ingredient
1,2-Octanediol
CAS 1117-86-8
What Is 1,2-Octanediol?
1,2-Octanediol is a synthetic ingredient primarily used as a preservative booster and moisturizer in skincare products. You’ll find it in creams, lotions, and serums where it helps extend shelf life while providing hydration. This dual-function molecule matters because it allows formulators to reduce traditional preservative levels while improving product performance, making it valuable for ‘clean beauty’ formulations.
Safety Profile
GENERALLY SAFEWhat Does 1,2-Octanediol Smell Like?
1,2-Octanediol is nearly odorless, presenting only a faint waxy character reminiscent of candle wax or a clean cosmetic base. Its olfactory neutrality makes it ideal for formulations where scent purity is paramount. The molecule lacks the typical top-heart-base evolution of fragrance ingredients, maintaining its subtle waxy impression consistently without dry-down changes.
2D Molecular Structure
SMILES: CCCCCCC(O)CO
Chemistry, Properties & Perfumer Guide
The Chemistry
1,2-Octanediol is an aliphatic diol with an 8-carbon chain and hydroxyl groups at positions 1 and 2. It’s exclusively synthetic, produced through controlled oxidation of 1-octene followed by reduction. The molecule’s antimicrobial activity stems from its ability to disrupt microbial cell membranes while remaining gentle on human skin. Its amphiphilic nature (containing both hydrophilic and hydrophobic regions) contributes to its multifunctional performance in formulations.
Physical & Chemical Properties
| Appearance | Colorless liquid to white crystalline solid |
|---|---|
| Solubility | Soluble in water and most organic solvents |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Skincare | 0.5-3% | Up to 5% | Preservative booster |
| Haircare | 0.5-2% | Up to 3% | Humectant |
| Deodorants | 1-2% | Up to 3% | Antimicrobial |
Classic Accords
Tip: Use as a solvent for difficult-to-dissolve actives while gaining preservative benefits.
Alternatives & Comparisons
Similar diol with slightly better solubility profile for some formulations.
Alternative preservative booster with enhanced efficacy against molds.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA – primarily used as functional ingredient rather than fragrance component.
RIFM Assessment
RIFM considers 1,2-octanediol safe for current cosmetic usage levels based on existing data.
Sustainability
As a synthetic ingredient, 1,2-octanediol has consistent quality and doesn’t rely on agricultural sourcing. Its production is typically petroleum-based, though some manufacturers are exploring bio-based routes using renewable feedstocks. The molecule’s efficacy at low concentrations helps reduce overall preservative loads in formulations.
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References
- Cosmetic Ingredient Review Expert Panel (2013). Safety Assessment of Alkane Diols as Used in Cosmetics. CIR Report
- Personal Care Products Council. International Cosmetic Ingredient Dictionary. INCI Database
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID9036646
Physical Properties
| Molecular Weight | 146.23 g/mol🔬 EPA CompTox |
| Density | 0.925 g/cm^3🔬 EPA CTX |
| Boiling Point | 241.586 °C📊 OPERA |
| Melting Point | 31.407 °C🔬 EPA CTX |
| Flash Point | 136.75 °C🔬 EPA CTX |
| Refractive Index | 1.453 Dimensionless📊 OPERA |
| Molar Volume | 155.978 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.1 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.796 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.796 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.78 Log10 unitless📊 OPERA |
| Water Solubility | 0.051 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg🔬 EPA CTX |
| Viscosity | 14.253 cP📊 OPERA |
| Surface Tension | 33.05 dyn/cm📊 OPERA |
| Thermal Conductivity | 167.566 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 40.46 Ų💻 Computed |
| H-Bond Donors | 2 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 42.14 cm^3/mol📊 OPERA |
| Polarizability | 16.706 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.
