para-Tolyl alcohol (CAS 589-18-4) — Mid Note Fragrance Ingredient
para-Tolyl alcohol
CAS 589-18-4
What Is para-Tolyl alcohol?
para-Tolyl alcohol (CAS 589-18-4) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as balsamic, green and leafy, placing it within the green family as a mid note with very low volatility. With a molecular weight of 122.2 (formula C8H10O), it is handled by perfumers as a building block for compositions where a balsamic character is desired. The data below is compiled from public chemical and regulatory sources.
Safety Profile
USE WITH AWARENESS
What Does para-Tolyl alcohol Smell Like?
The odour profile of para-Tolyl alcohol is reported as balsamic, green, leafy, rose, sweet. The dominant facet is its balsamic character, with the remaining notes adding nuance and complexity. As a mid note it contributes to the heart of a fragrance. Perceived intensity and exact character depend on concentration, the carrier and the surrounding accord.
Scent Profile
Profile derived from public odour-descriptor data; relative, not absolute.
2D Molecular Structure
SMILES: CC1=CC=C(CO)C=C1
Chemistry & Properties
The Chemistry
para-Tolyl alcohol has the molecular formula C8H10O and a molecular weight of 122.2 g/mol. Its canonical SMILES representation is CC1=CC=C(C=C1)CO. Its reported log P (XLogP) of 1.60 indicates a moderately polar molecule, which informs how it partitions in a formula. Physical constants below are drawn from PubChem and EPA CompTox public datasets.
Physical & Chemical Properties
| Molecular Weight | 122.2 g/mol |
|---|---|
| Boiling Point | 218.4 °C |
| Melting Point | 60.50 °C |
| Flash Point | 102.3 °C |
| Density | 0.978 g/cm³ |
| Vapor Pressure | 0.05248 mmHg |
| Water Solubility | 0.0631 g/L |
| XLogP | 1.60 |
Perfumer Guide
Alternatives & Comparisons
Ingredients occupying a similar odour space — useful as substitutes or companions when para-Tolyl alcohol is unavailable or restricted.
Shares floral, green, leafy character — a candidate substitute or companion in the same odour space.
Shares balsamic, fruity, rose character — a candidate substitute or companion in the same odour space.
Shares green, rose, sour character — a candidate substitute or companion in the same odour space.
Safety & Regulatory
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH and EU Cosmetics Regulation standards update periodically. Consult the current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
Subject to an IFRA restriction (51st Amendment) — maximum use levels apply by product category. Consult the current IFRA Standards Library before formulating.
GHS Classification
Signal word: Warning
Odour detection threshold (air): 1.90 ppb — a literature-curated value indicating its potency in the vapour phase.
Open para-Tolyl alcohol in Fragrance Studio (Pro) for the calibrated vapour-pressure curve, the modelled odour-threshold estimate, and the substitute-matching engine across 2,900+ aromachemicals.
References & Sources
- PubChem Compound Summary (NIH) — search by InChIKey
- EPA CompTox Chemicals Dashboard — physicochemical & fate data
- IFRA Standards Library (49th / 51st Amendment)
Data: PubChem (NIH), EPA CompTox, IFRA. Last reviewed: Jun 2026.
Ingredient Data Sheet
CAS 589-18-4Physical Properties
| Molecular Weight | 122.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.6🔬 PubChem |
| Boiling Point | 217.2 °C🔬 EPA CompTox |
| Vapor Pressure | 0.01 mmHg @ 25°C📊 OPERA |
| Involatility Index | 0.001💻 Calculated |
| log Kp (skin permeability) | -2.309💻 Calculated |
| SMILES | CC1=CC=C(C=C1)CO🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.7 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicgreenleafyrosesweet• leffingwell |
| Functional Groups | alcoholaromatic💻 RDKit |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
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: DTXSID5025574
Physical Properties
| Molecular Weight | 122.167 g/mol🔬 EPA CompTox |
| Density | 1.034 g/cm^3🔬 EPA CTX |
| Boiling Point | 217.837 °C🔬 EPA CTX |
| Melting Point | 60.205 °C🔬 EPA CTX |
| Flash Point | 102.259 °C📊 OPERA |
| Refractive Index | 1.54 Dimensionless📊 OPERA |
| Molar Volume | 119.525 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.587 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.63 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.64 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.98 Log10 unitless📊 OPERA |
| Water Solubility | 0.062 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.02 mmHg🔬 EPA CTX |
| Viscosity | 5.414 cP📊 OPERA |
| Surface Tension | 37.837 dyn/cm📊 OPERA |
| Thermal Conductivity | 148.409 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 | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 37.529 cm^3/mol📊 OPERA |
| Polarizability | 14.878 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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