Isopropyl alcohol (CAS 67-63-0) — Citrus N/A Note Fragrance Ingredient
Isopropyl alcohol
CAS 67-63-0
What Is Isopropyl alcohol?
Isopropyl alcohol is a common synthetic alcohol found in disinfectants, hand sanitizers, and some industrial products. It has a sharp, medicinal odor that most people recognize from first aid supplies. While not typically used for its fragrance, it plays important roles in product formulation as a solvent and antimicrobial agent.
Safety Profile
GENERALLY SAFEWhat Does Isopropyl alcohol Smell Like?
Isopropyl alcohol delivers an intensely sharp, medicinal aroma reminiscent of hospitals and antiseptic solutions. The scent is clean but harsh, with a piercing alcohol character that dominates without evolution. It lacks complexity, presenting as a straightforward, aggressive solvent note that evaporates quickly without dry-down nuances. The odor profile is singularly focused – a blunt instrument of chemical cleanliness rather than a perfumery material.
2D Molecular Structure
SMILES: CC(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
Isopropyl alcohol (2-propanol) is a secondary alcohol with the molecular formula C3H8O. Industrially produced by hydration of propene, it’s one of the simplest and most widely used alcohols. The molecule lacks chirality due to its symmetrical structure. While not valued for its scent, its excellent solvent properties and rapid evaporation make it useful in technical applications rather than fine fragrance.
Physical & Chemical Properties
| Boiling Point | 82.6 °C |
|---|---|
| Flash Point | 11.7 °C |
| Density | 0.786 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Disinfectants | 70-99% | Varies | Primary active ingredient |
| Industrial Solvents | Varies | Up to 100% | Cleaning applications |
Classic Accords
Tip: Not recommended for perfumery – use only as a solvent or sterilizing agent.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions – not classified as a fragrance material.
GHS Classification
RIFM Assessment
Not evaluated by RIFM as it’s not considered a fragrance ingredient.
Sustainability
Produced from petrochemical feedstocks, isopropyl alcohol has significant carbon footprint concerns. While effective for disinfection, its production relies on non-renewable resources. The industry is exploring bio-based production methods to improve sustainability profiles of such basic chemicals.
Explore Isopropyl alcohol
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References
- PubChem Compound Summary for Isopropyl alcohol PubChem CID 3776
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7020762
Physical Properties
| Molecular Weight | 60.096 g/mol🔬 EPA CompTox |
| Density | 0.788 g/cm^3🔬 EPA CTX |
| Boiling Point | 82.481 °C🔬 EPA CTX |
| Melting Point | -89.143 °C🔬 EPA CTX |
| Flash Point | 12.761 °C🔬 EPA CTX |
| Refractive Index | 1.376 Dimensionless📊 OPERA |
| Molar Volume | 75.938 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.05 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.145 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.145 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.41 Log10 unitless🔬 EPA CTX |
| Water Solubility | 7.447 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 40.299 mmHg🔬 EPA CTX |
| Viscosity | 2.022 cP📊 OPERA |
| Surface Tension | 24.424 dyn/cm📊 OPERA |
| Thermal Conductivity | 157.829 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 17.441 cm^3/mol📊 OPERA |
| Polarizability | 6.914 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.
