Benzoic Acid (CAS 65-85-0) — Balsamic Heart Note Fragrance Ingredient
Benzoic Acid
CAS 65-85-0
What Is Benzoic Acid?
Benzoic acid is a naturally occurring compound found in many plants, including cinnamon, cloves, and berries. It’s commonly used as a preservative in foods and cosmetics, and contributes a subtle, sweet-balsamic note to fragrances. This ingredient matters because it serves dual roles – extending product shelf life while adding a warm, resinous character to scent compositions.
Safety Profile
GENERALLY SAFEWhat Does Benzoic Acid Smell Like?
Benzoic acid presents a clean, slightly sweet aroma with distinct balsamic undertones. Initially sharp and almost medicinal, it quickly mellows into a warm, vanilla-like character reminiscent of benzoin resin. The dry-down reveals subtle powdery facets that blend beautifully with florals and woods. Though not overpowering, it adds remarkable tenacity to compositions, acting as a quiet backbone that enhances other materials without dominating them.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fixative to enhance the vanilla-amber accord, providing stability to the legendary oriental composition while contributing subtle balsamic nuances.
Works synergistically with spices and resins to create depth in this intense oriental, adding warmth without sweetness.
2D Molecular Structure
SMILES: OC(=O)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Benzoic acid is a simple aromatic carboxylic acid (C6H5COOH) naturally occurring in gum benzoin. Industrially produced via toluene oxidation or benzaldehyde oxidation. The planar benzene ring with carboxyl group creates excellent stability. Shows limited volatility due to hydrogen bonding capacity. Exists as white crystalline powder at room temperature.
Physical & Chemical Properties
| Boiling Point | 249 °C |
|---|---|
| Melting Point | 122 °C |
| Density | 1.27 g/cm³ |
| Solubility | Sparingly soluble in cold water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Fixative and modifier |
| Soaps | 0.2-0.8% | Up to 1.5% | Preservative and scent stabilizer |
Classic Accords
Tip: Use in trace amounts to enhance vanilla accords without adding excessive sweetness.
Alternatives & Comparisons
When a less acidic, more floral-balsamic character is desired. Also functions as solvent and fixative.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No IFRA restrictions. Generally recognized as safe at typical usage levels.
GHS Classification
RIFM Assessment
RIFM evaluation confirms safety at current use levels in fragrance applications.
Sustainability
Primarily synthesized from petroleum-derived toluene, though some natural extraction still occurs from gum benzoin. Production processes have become more efficient with reduced environmental impact. Biodegradable under aerobic conditions.
Explore Benzoic Acid
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- PubChem Compound Summary for Benzoic Acid CID 243
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorIngredient Data Sheet
CAS 65-85-0Physical Properties
| Molecular Weight | 122.12 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.9🔬 PubChem |
| Boiling Point | 248.9 °C🔬 EPA CompTox |
| Vapor Pressure | 1 mmHg @ 25°C📊 OPERA |
| Flash Point | 121.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0975💻 Calculated |
| log Kp (skin permeability) | -2.096💻 Calculated |
| SMILES | C1=CC=C(C=C1)C(=O)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamic• leffingwell |
| Functional Groups | aromatic💻 RDKit |
| “amine-like odor, which is hardly perceptible G.R.A.S.”📖 Arctander | |
| Benzoic acid is almost odorless or exhibits a faint balsamic odor and a sweetsour to acrid taste. Sodium benzoate as an article of commerce is in the form of a white powder or flakes. It can be mixed dry into bulk liquids and dissolves promptly. The pH range for optimum microbial inhibition by benzoic acid is 2.5 to 4.0, which is lower than that of sorbic acid or propionic acid. Thus, benzoates are well adapted for the preservation of food, which are acid, or readily acidified such as carbonated beverages, fruit juices, cider, pickles and sauerkraut.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 12.0736 ppm (n=3)📖 van Gemert |
Regulatory Status
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID6020143
Physical Properties
| Molecular Weight | 122.123 g/mol🔬 EPA CompTox |
| Density | 1.311 g/cm^3🔬 EPA CTX |
| Boiling Point | 249.098 °C🔬 EPA CTX |
| Melting Point | 122.385 °C🔬 EPA CTX |
| Flash Point | 121.037 °C🔬 EPA CTX |
| Refractive Index | 1.564 Dimensionless📊 OPERA |
| Molar Volume | 101.963 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.902 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.556 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -1.164 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.91 Log10 unitless📊 OPERA |
| Water Solubility | 0.03 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.001 mmHg🔬 EPA CTX |
| Surface Tension | 48.735 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 37.3 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 | 33.183 cm^3/mol📊 OPERA |
| Polarizability | 13.155 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.
