Ocimene (CAS 13877-91-3) — Green Top Note Fragrance Ingredient
Ocimene
CAS 13877-91-3
What Is Ocimene?
Ocimene is a naturally occurring terpene found in many plants, including mint, basil, and mango. It’s commonly encountered in essential oils and contributes to fresh, herbal, and slightly citrusy aromas. This ingredient matters because it adds a bright, uplifting quality to fragrances, often used to create natural and vibrant scent profiles in perfumes and personal care products.
Safety Profile
GENERALLY SAFEWhat Does Ocimene Smell Like?
Ocimene offers a fresh, herbaceous aroma with subtle citrus undertones, reminiscent of a sunlit herb garden. Its top note is bright and slightly sweet, evolving into a green, leafy heart. The dry-down is clean and slightly woody, leaving a crisp, natural impression. It’s like the first breath of air after rain, with a hint of mint and a whisper of tropical fruit.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Ocimene enhances the green, herbal freshness of basil, creating a vibrant and aromatic top note that pairs beautifully with citrus and woody accords.
Used to amplify the tropical fruitiness of mango, ocimene adds a crisp, green contrast that balances the sweetness.
Ocimene’s herbal brightness complements the neroli, creating a refreshing and uplifting cologne-style fragrance.
Adds a fresh, leafy quality to the tea accord, enhancing the natural and clean vibe of the fragrance.
Ocimene contributes to the green, aromatic heart of this fragrance, blending seamlessly with lavender and citrus.
2D Molecular Structure
SMILES: CC(C)=CCC=C(C)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Ocimene is a monoterpene, part of the larger family of isoprenoids. It exists in three isomeric forms: alpha-ocimene, beta-ocimene, and allo-ocimene. Naturally occurring in many plants, it is often synthesized via the mevalonate pathway. Industrial production typically involves the pyrolysis of pinene or the catalytic isomerization of myrcene. Its structure includes conjugated double bonds, contributing to its reactivity and aromatic properties. Chirality is not a significant factor for ocimene, as its isomers are not optically active.
Physical & Chemical Properties
| Boiling Point | Not specified |
|---|---|
| Density | Not specified |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds fresh, herbal top notes |
| Personal Care | 0.5-3% | Up to 5% | Enhances natural and clean scents |
| Household Products | 0.1-2% | Up to 3% | Provides a fresh, green aroma |
| Flavorings | 0.01-0.5% | Up to 1% | Adds subtle herbal notes |
Classic Accords
Tip: Use ocimene to add a natural, green lift to citrus or herbal compositions.
Alternatives & Comparisons
A similar terpene with a more earthy, balsamic profile, suitable for deeper green accords.
Offers a brighter citrus note, ideal for fresher, more vibrant fragrances.
Provides a sharper, pine-like green note, useful for woody-herbal blends.
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 apply to ocimene under current guidelines.
RIFM Assessment
RIFM has evaluated ocimene and found it safe for use in current fragrance applications.
Sustainability
Ocimene can be sourced naturally from plants or synthesized sustainably. Natural extraction is resource-intensive, while synthetic production offers a more controlled and scalable option. Environmental impact is generally low, but sourcing should prioritize sustainable practices to ensure long-term viability.
Explore Ocimene
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References
- PubChem. Ocimene. National Library of Medicine. PubChem
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. Wiley
- RIFM. (2020). Safety Assessment of Ocimene. RIFM. RIFM
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorIngredient Data Sheet
CAS 13877-91-3Physical Properties
| Molecular Weight | 136.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.3🔬 PubChem |
| Boiling Point | 184.1 °C🔬 EPA CompTox |
| Vapor Pressure | 1.6554 mmHg @ 25°C📊 OPERA |
| Flash Point | 56 °C🔬 EPA CompTox |
| Involatility Index | 0.1529💻 Calculated |
| log Kp (skin permeability) | -0.478💻 Calculated |
| SMILES | CC(=CCC=C(C)C=C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alkene💻 RDKit |
| “Warm-herbaceous, very diffusive odor of poor tenacity. The sweetness is almost floral, and there is an immediate similarity to Neroli oil in the odor of pure Ocimene.”📖 Arctander | |
| 3,7-Dimethyl-1,3,6-octatrine has a warm herbaceous odor.📖 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: DTXSID70274135
Physical Properties
| Molecular Weight | 136.238 g/mol🔬 EPA CompTox |
| Density | 0.801 g/cm^3🔬 EPA CTX |
| Boiling Point | 184.1 °C🔬 EPA CTX |
| Melting Point | -57.641 °C📊 OPERA |
| Flash Point | 56 °C🔬 EPA CTX |
| Refractive Index | 1.458 Dimensionless📊 OPERA |
| Molar Volume | 175.529 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.4 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.281 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.281 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.47 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.321 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 1.655 mmHg🔬 EPA CTX |
| Viscosity | 0.591 cP📊 OPERA |
| Surface Tension | 23.032 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.831 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 47.904 cm^3/mol📊 OPERA |
| Polarizability | 18.991 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.
