1-Methoxypropan-2-ol (CAS 107-98-2) — Sweet Carrier Note Fragrance Ingredient
1-Methoxypropan-2-ol
CAS 107-98-2
What Is 1-Methoxypropan-2-ol?
1-Methoxypropan-2-ol is a synthetic solvent used in industrial applications and some fragrance formulations. It’s not commonly encountered in consumer products. This ingredient primarily serves as a carrier or modifier in technical fragrance compositions rather than as a standalone scent.
Safety Profile
PROFESSIONAL USEWhat Does 1-Methoxypropan-2-ol Smell Like?
This compound has minimal inherent odor characteristics, functioning primarily as a solvent rather than an aromatic component. In fragrance applications, it may carry faint ether-like notes with a clean, slightly sweet undertone. Its volatility makes it useful for temporary carrier applications rather than contributing to a fragrance’s olfactory profile.
2D Molecular Structure
SMILES: COCC(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
1-Methoxypropan-2-ol is a simple ether-alcohol compound synthesized through the reaction of propylene oxide with methanol. As a small molecule with both ether and hydroxyl functional groups, it exhibits good solvent properties for various organic compounds. Its structure allows for moderate hydrogen bonding capability while maintaining sufficient volatility for certain industrial applications.
Physical & Chemical Properties
| Boiling Point | Not established |
|---|---|
| Density | Not established |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Applications | Variable | As needed | Solvent carrier |
| Technical Fragrance | <5% | 1-10% | Temporary carrier |
Classic Accords
Tip: Use only in technical applications where temporary solvent properties are required.
Alternatives & Comparisons
Alternative solvent with better safety profile for cosmetic applications.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not specifically restricted by IFRA due to industrial rather than fragrance use.
GHS Classification
RIFM Assessment
Not evaluated by RIFM as it’s not a fragrance ingredient.
Sustainability
As an industrial synthetic compound, 1-Methoxypropan-2-ol is produced through petrochemical routes. Its environmental impact is primarily related to standard solvent handling precautions rather than specific sustainability concerns. Proper disposal procedures should be followed to minimize environmental release.
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Ingredient Data Sheet
CAS 107-98-2Physical Properties
| Molecular Weight | 90.12 g/mol🔬 PubChem |
| LogP (Octanol-Water) | -0.2🔬 PubChem |
| Boiling Point | 120 °C🔬 EPA CompTox |
| Vapor Pressure | 11.8 mmHg @ 25°C📊 OPERA |
| Flash Point | 36.1 °C🔬 EPA CompTox |
| Involatility Index | 1.3397💻 Calculated |
| log Kp (skin permeability) | -3.392💻 Calculated |
| SMILES | CC(COC)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | etherealsweet• leffingwell |
| Functional Groups | alcoholether💻 RDKit |
Sensory Thresholds
| Odor Detection Threshold | 27.2759 ppm (n=4)📖 van Gemert |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID8024284
Physical Properties
| Molecular Weight | 90.122 g/mol🔬 EPA CompTox |
| Density | 0.934 g/cm^3🔬 EPA CTX |
| Boiling Point | 119.824 °C🔬 EPA CTX |
| Melting Point | -96.666 °C🔬 EPA CTX |
| Flash Point | 39.806 °C🔬 EPA CTX |
| Refractive Index | 1.397 Dimensionless📊 OPERA |
| Molar Volume | 98.808 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | -0.49 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | -0.269 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -0.269 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.08 Log10 unitless📊 OPERA |
| Water Solubility | 11.095 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 11.47 mmHg🔬 EPA CTX |
| Viscosity | 3.583 cP📊 OPERA |
| Surface Tension | 27.143 dyn/cm📊 OPERA |
| Thermal Conductivity | 159.681 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.46 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 23.819 cm^3/mol📊 OPERA |
| Polarizability | 9.443 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.
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