Para-Cymene (CAS 99-87-6) — Citrus Heart Note Fragrance Ingredient
Para-Cymene
CAS 99-87-6
What Is Para-Cymene?
Para-Cymene is a naturally occurring aromatic compound found in essential oils like cumin and thyme. People encounter it in household cleaners, air fresheners, and some perfumes. Its fresh, citrus-like scent makes it popular in products needing a clean, uplifting aroma. While generally safe, its presence in consumer products is carefully regulated due to potential skin sensitivity.
Safety Profile
USE WITH AWARENESSWhat Does Para-Cymene Smell Like?
Para-Cymene offers a bright, citrusy aroma with subtle herbaceous undertones. Imagine the zest of a freshly peeled orange blended with the crispness of crushed pine needles. Its scent evolves from an initial sharp citrus burst to a milder, woody dry-down. The overall effect is clean and invigorating, reminiscent of a sunlit Mediterranean herb garden.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Para-Cymene adds a crisp, citrusy lift to the top notes, enhancing the freshness of this classic cologne.
Used to amplify the brightness of citrus notes, creating a vibrant opening.
2D Molecular Structure
SMILES: CC(C)C1=CC=C(C)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Para-Cymene is a monoterpene, part of the cymene family. It naturally occurs in essential oils like cumin, thyme, and coriander. Industrially, it’s synthesized from turpentine or petroleum derivatives. Its structure features a benzene ring with a methyl and isopropyl group, contributing to its volatility and aroma profile.
Physical & Chemical Properties
| Boiling Point | 177 °C |
|---|---|
| Density | 0.857 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds citrus freshness |
| Household Products | 0.5-2% | Up to 3% | Clean, uplifting scent |
Classic Accords
Tip: Use sparingly to avoid overpowering other top notes.
Alternatives & Comparisons
Offers a more pronounced citrus character without the herbal undertones.
Provides similar freshness but with more floral complexity.
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 currently apply.
EU Allergen Declaration
Not listed as an EU allergen.
GHS Classification
RIFM Assessment
RIFM assessment confirms safe use at current levels in consumer products.
Sustainability
Para-Cymene can be sourced sustainably from plant essential oils or synthesized from renewable turpentine. Synthetic production has a lower environmental impact than intensive farming of source plants.
Explore Para-Cymene
Browse essential oils and aroma compounds.
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References
- PubChem: Para-Cymene PubChem 7463
- IFRA Standards Library IFRA
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorIngredient Data Sheet
CAS 99-87-6Physical Properties
| Molecular Weight | 134.22 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.1🔬 PubChem |
| Boiling Point | 177.2 °C🔬 EPA CompTox |
| Vapor Pressure | 1.46 mmHg @ 25°C📊 OPERA |
| Flash Point | 47.2 °C🔬 EPA CompTox |
| Involatility Index | 0.1358💻 Calculated |
| log Kp (skin permeability) | -0.608💻 Calculated |
| SMILES | CC1=CC=C(C=C1)C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrus• leffingwell |
| Functional Groups | aromatic💻 RDKit |
| “Commercial grades display a typical "gassy"-kerosene-like odor, while highly purified material smells more citrusy, reminiscent of Lemon and Bergamot topnotes, having more freshness.”📖 Arctander | |
| p-Cymene has a strong, characteristic odor reminiscent of carrot. It tends to darken with aging.📖 Fenaroli | |
Flavor Notes (Arctander)
| “imitation Lemon and Bergamot for perfumes and flavors. It finds some use in low-cost soap and detergent perfumes. Traces are used in Citrus and Spice flavor blends, while the concentration of para-Cymene in chewing gum may reach 250 ppm and in condiments about 125 ppm (pickles etc.).”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.6448 ppm (n=16)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2356⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| 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: DTXSID3026645
Physical Properties
| Molecular Weight | 134.222 g/mol🔬 EPA CompTox |
| Density | 0.855 g/cm^3🔬 EPA CTX |
| Boiling Point | 176.914 °C🔬 EPA CTX |
| Melting Point | -63.52 °C🔬 EPA CTX |
| Flash Point | 47.579 °C🔬 EPA CTX |
| Refractive Index | 1.493 Dimensionless📊 OPERA |
| Molar Volume | 155.781 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.143 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.173 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.173 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.31 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.009 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 1.724 mmHg🔬 EPA CTX |
| Viscosity | 1.473 cP📊 OPERA |
| Surface Tension | 28.267 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.106 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 0 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 45.263 cm^3/mol📊 OPERA |
| Polarizability | 17.944 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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