Geranic acid (CAS 459-80-3) — Citrus Top to middle Note Fragrance Ingredient
Geranic acid
CAS 459-80-3
What Is Geranic acid?
Geranic acid is a synthetic fragrance ingredient with a fresh, citrusy-green aroma. It’s primarily used in fine fragrances and household products to add brightness and lift. This acid contributes to the complex evolution of scents, often enhancing floral and citrus compositions with its vibrant character.
Safety Profile
GENERALLY SAFEWhat Does Geranic acid Smell Like?
Geranic acid bursts with a sharp, green-citrus intensity reminiscent of crushed geranium leaves and unripe citrus zest. The initial brightness gradually softens into a floral-herbal heart, with subtle rosy undertones emerging. In dry-down, it leaves a clean, slightly metallic edge that pairs beautifully with woody bases. Its linear structure makes it excellent for maintaining freshness throughout a fragrance’s evolution.
2D Molecular Structure
SMILES: CC(C)=CCCC(C)=CC(O)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Geranic acid is an unsaturated monoterpenoid carboxylic acid, structurally related to geraniol. As a synthetic material, it’s typically produced through oxidation of geraniol or citral. The trans-isomer (E-geranic acid) is more common in fragrance applications. Its conjugated double bond system contributes to both its reactivity and distinctive odor profile.
Physical & Chemical Properties
| Boiling Point | Not established |
|---|---|
| Density | Not established |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as freshness enhancer |
| Household Products | 0.1-1% | Up to 3% | Adds clean, green character |
Classic Accords
Tip: Use to fix citrus top notes and prevent rapid evaporation.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to geranic acid (as of Amendment 51).
GHS Classification
RIFM Assessment
RIFM has reviewed geranic acid and found it safe for current usage levels in fragrance applications.
Sustainability
As a synthetic material, geranic acid production doesn’t rely on agricultural resources. Its synthesis from renewable terpene feedstocks makes it relatively sustainable compared to petrochemical-derived ingredients. Manufacturing processes typically have low environmental impact when proper controls are in place.
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Perfumer’s Notes
Odor: [‘citrus’, ‘floral’, ‘fresh’, ‘fruity’, ‘green’, ‘herbal’, ‘woody’]
MW: 168.23
LogP: 3.1
Ingredient Data Sheet
CAS 459-80-3Physical Properties
| Molecular Weight | 168.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.1🔬 PubChem |
| Boiling Point | 250 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0006 mmHg @ 25°C📊 OPERA |
| Flash Point | 201.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -1.525💻 Calculated |
| SMILES | CC(=CCCC(=CC(=O)O)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusfloralfreshfruitygreenherbalwoody• leffingwell |
| Functional Groups | alkene💻 RDKit |
| “overall fresh and clean odor with woody undertones. It bears some resemblance to the odor of Geraniol tail fractions.”📖 Arctander | |
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: DTXSID0047115
Physical Properties
| Molecular Weight | 168.236 g/mol🔬 EPA CompTox |
| Density | 0.962 g/cm^3📊 OPERA |
| Boiling Point | 250 °C🔬 EPA CTX |
| Melting Point | 21 °C🔬 EPA CTX |
| Flash Point | 201.15 °C🔬 EPA CTX |
| Refractive Index | 1.48 Dimensionless📊 OPERA |
| Molar Volume | 175.061 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.061 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.546 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.84 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.46 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 4.212 cP📊 OPERA |
| Surface Tension | 30.248 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.461 mW/(m*K)📊 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 | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 49.743 cm^3/mol📊 OPERA |
| Polarizability | 19.72 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.
